9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole

C21H21F2N — CID 138526952

IUPAC9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole
SMILESCc1ccc(-n2c3c(c4ccccc42)CCCC3)c(C(C)(F)F)c1
InChIInChI=1S/C21H21F2N/c1-14-11-12-20(17(13-14)21(2,22)23)24-18-9-5-3-7-15(18)16-8-4-6-10-19(16)24/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3
InChIKeyGQFWAKYDDOZEFX-UHFFFAOYSA-N
MW325.40 g/mol
LogP5.93
Rot. Bonds2

About 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole

9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 138526952) has the molecular formula C21H21F2N and a molecular weight of 325.40 g/mol. Its IUPAC name is 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID138526952
Molecular FormulaC21H21F2N
Molecular Weight325.40 g/mol
Exact Mass325.16
IUPAC Name9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole
SMILESCc1ccc(-n2c3c(c4ccccc42)CCCC3)c(C(C)(F)F)c1
InChIInChI=1S/C21H21F2N/c1-14-11-12-20(17(13-14)21(2,22)23)24-18-9-5-3-7-15(18)16-8-4-6-10-19(16)24/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3
InChIKeyGQFWAKYDDOZEFX-UHFFFAOYSA-N
XLogP5.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.40
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341
9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole
CID 170067507
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
CID 12710330
4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
CID 69192503
9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole
CID 170444614
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 58663485
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
hafnium(4+);1-(1H-inden-1-id-2-yl)-2-methylindole;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;dichloride
CID 87862854
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 82497336

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole (CID 138526952) is 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole is Cc1ccc(-n2c3c(c4ccccc42)CCCC3)c(C(C)(F)F)c1.
What is the InChIKey of 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is GQFWAKYDDOZEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N/c1-14-11-12-20(17(13-14)21(2,22)23)24-18-9-5-3-7-15(18)16-8-4-6-10-19(16)24/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3.
What are the key properties of 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole?
9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 325.40 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 138526952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).