8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile

C14H11F3N2O — CID 52943808

IUPAC8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c2c1)CCCC3(O)C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)13(20)5-1-2-9-10-6-8(7-18)3-4-11(10)19-12(9)13/h3-4,6,19-20H,1-2,5H2
InChIKeyDZMHVXDYRBLHFR-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.13
Rot. Bonds

About 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile

8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile (PubChem CID 52943808) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile
PubChem CID52943808
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c2c1)CCCC3(O)C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)13(20)5-1-2-9-10-6-8(7-18)3-4-11(10)19-12(9)13/h3-4,6,19-20H,1-2,5H2
InChIKeyDZMHVXDYRBLHFR-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
The IUPAC name of 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile (CID 52943808) is 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile.
What is the SMILES notation for 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
The canonical SMILES for 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile is N#Cc1ccc2[nH]c3c(c2c1)CCCC3(O)C(F)(F)F.
What is the InChIKey of 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
The InChIKey is DZMHVXDYRBLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)13(20)5-1-2-9-10-6-8(7-18)3-4-11(10)19-12(9)13/h3-4,6,19-20H,1-2,5H2.
What are the key properties of 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile?
8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile has a molecular weight of 280.25 g/mol, XLogP of 3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-(trifluoromethyl)-5,6,7,9-tetrahydrocarbazole-3-carbonitrile is sourced from PubChem (CID 52943808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).