6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane

C29H26Cl4F8N2O2Si — CID 160922641

IUPAC6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1F.OC1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1F
InChIInChI=1S/C16H17Cl2F4NOSi.C13H9Cl2F4NO/c1-25(2,3)24-15(16(20,21)22)13(19)5-4-8-9-6-10(17)11(18)7-12(9)23-14(8)15;14-7-3-6-5-1-2-10(16)12(21,13(17,18)19)11(5)20-9(6)4-8(7)15/h6-7,13,23H,4-5H2,1-3H3;3-4,10,20-21H,1-2H2
InChIKeySSFQLMOYDAEZGH-UHFFFAOYSA-N
MW756.42 g/mol
LogP10.88
Rot. Bonds2

About 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane

6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane (PubChem CID 160922641) has the molecular formula C29H26Cl4F8N2O2Si and a molecular weight of 756.42 g/mol. Its IUPAC name is 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane
PubChem CID160922641
Molecular FormulaC29H26Cl4F8N2O2Si
Molecular Weight756.42 g/mol
Exact Mass754.04
IUPAC Name6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1F.OC1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1F
InChIInChI=1S/C16H17Cl2F4NOSi.C13H9Cl2F4NO/c1-25(2,3)24-15(16(20,21)22)13(19)5-4-8-9-6-10(17)11(18)7-12(9)23-14(8)15;14-7-3-6-5-1-2-10(16)12(21,13(17,18)19)11(5)20-9(6)4-8(7)15/h6-7,13,23H,4-5H2,1-3H3;3-4,10,20-21H,1-2H2
InChIKeySSFQLMOYDAEZGH-UHFFFAOYSA-N
XLogP10.88
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.42
LogP ≤ 510.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane?
The IUPAC name of 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane (CID 160922641) is 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane.
What is the SMILES notation for 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane?
The canonical SMILES for 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane is C[Si](C)(C)OC1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1F.OC1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1F.
What is the InChIKey of 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane?
The InChIKey is SSFQLMOYDAEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2F4NOSi.C13H9Cl2F4NO/c1-25(2,3)24-15(16(20,21)22)13(19)5-4-8-9-6-10(17)11(18)7-12(9)23-14(8)15;14-7-3-6-5-1-2-10(16)12(21,13(17,18)19)11(5)20-9(6)4-8(7)15/h6-7,13,23H,4-5H2,1-3H3;3-4,10,20-21H,1-2H2.
What are the key properties of 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane?
6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane has a molecular weight of 756.42 g/mol, XLogP of 10.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol;[6,7-dichloro-2-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 160922641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).