5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol

C13H10ClF4NO — CID 53356846

IUPAC5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol
SMILESOC1(C(F)(F)F)CCCc2c1[nH]c1ccc(F)c(Cl)c21
InChIInChI=1S/C13H10ClF4NO/c14-10-7(15)3-4-8-9(10)6-2-1-5-12(20,11(6)19-8)13(16,17)18/h3-4,19-20H,1-2,5H2
InChIKeyMOOANAHHINSSPK-UHFFFAOYSA-N
MW307.67 g/mol
LogP4.05
Rot. Bonds

About 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol

5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol (PubChem CID 53356846) has the molecular formula C13H10ClF4NO and a molecular weight of 307.67 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol
PubChem CID53356846
Molecular FormulaC13H10ClF4NO
Molecular Weight307.67 g/mol
Exact Mass307.04
IUPAC Name5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol
SMILESOC1(C(F)(F)F)CCCc2c1[nH]c1ccc(F)c(Cl)c21
InChIInChI=1S/C13H10ClF4NO/c14-10-7(15)3-4-8-9(10)6-2-1-5-12(20,11(6)19-8)13(16,17)18/h3-4,19-20H,1-2,5H2
InChIKeyMOOANAHHINSSPK-UHFFFAOYSA-N
XLogP4.05
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.67
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
The IUPAC name of 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol (CID 53356846) is 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol.
What is the SMILES notation for 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
The canonical SMILES for 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol is OC1(C(F)(F)F)CCCc2c1[nH]c1ccc(F)c(Cl)c21.
What is the InChIKey of 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
The InChIKey is MOOANAHHINSSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4NO/c14-10-7(15)3-4-8-9(10)6-2-1-5-12(20,11(6)19-8)13(16,17)18/h3-4,19-20H,1-2,5H2.
What are the key properties of 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol has a molecular weight of 307.67 g/mol, XLogP of 4.05, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol is sourced from PubChem (CID 53356846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).