6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol

C14H15F2NO — CID 65333382

IUPAC6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
SMILESCC1(C)Cc2[nH]c3c(F)cc(F)cc3c2C(O)C1
InChIInChI=1S/C14H15F2NO/c1-14(2)5-10-12(11(18)6-14)8-3-7(15)4-9(16)13(8)17-10/h3-4,11,17-18H,5-6H2,1-2H3
InChIKeyQLAYCHQJBCPVDQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.45
Rot. Bonds

About 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol

6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol (PubChem CID 65333382) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol.

Molecular Properties

Compound Name6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
PubChem CID65333382
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
SMILESCC1(C)Cc2[nH]c3c(F)cc(F)cc3c2C(O)C1
InChIInChI=1S/C14H15F2NO/c1-14(2)5-10-12(11(18)6-14)8-3-7(15)4-9(16)13(8)17-10/h3-4,11,17-18H,5-6H2,1-2H3
InChIKeyQLAYCHQJBCPVDQ-UHFFFAOYSA-N
XLogP3.45
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
The IUPAC name of 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol (CID 65333382) is 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol.
What is the SMILES notation for 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
The canonical SMILES for 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol is CC1(C)Cc2[nH]c3c(F)cc(F)cc3c2C(O)C1.
What is the InChIKey of 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
The InChIKey is QLAYCHQJBCPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-14(2)5-10-12(11(18)6-14)8-3-7(15)4-9(16)13(8)17-10/h3-4,11,17-18H,5-6H2,1-2H3.
What are the key properties of 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol has a molecular weight of 251.28 g/mol, XLogP of 3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol is sourced from PubChem (CID 65333382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).