2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole

C14H9F6N — CID 174948985

IUPAC2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole
SMILESFC(F)(F)C1(C(F)(F)F)C=Cc2c([nH]c3ccccc23)C1
InChIInChI=1S/C14H9F6N/c15-13(16,17)12(14(18,19)20)6-5-9-8-3-1-2-4-10(8)21-11(9)7-12/h1-6,21H,7H2
InChIKeyGZBJWLKOWFIQDH-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.85
Rot. Bonds

About 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole

2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole (PubChem CID 174948985) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole.

Molecular Properties

Compound Name2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole
PubChem CID174948985
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole
SMILESFC(F)(F)C1(C(F)(F)F)C=Cc2c([nH]c3ccccc23)C1
InChIInChI=1S/C14H9F6N/c15-13(16,17)12(14(18,19)20)6-5-9-8-3-1-2-4-10(8)21-11(9)7-12/h1-6,21H,7H2
InChIKeyGZBJWLKOWFIQDH-UHFFFAOYSA-N
XLogP4.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole?
The IUPAC name of 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole (CID 174948985) is 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole.
What is the SMILES notation for 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole?
The canonical SMILES for 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole is FC(F)(F)C1(C(F)(F)F)C=Cc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole?
The InChIKey is GZBJWLKOWFIQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c15-13(16,17)12(14(18,19)20)6-5-9-8-3-1-2-4-10(8)21-11(9)7-12/h1-6,21H,7H2.
What are the key properties of 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole?
2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole has a molecular weight of 305.22 g/mol, XLogP of 4.85, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethyl)-1,9-dihydrocarbazole is sourced from PubChem (CID 174948985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).