1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole

C21H16F3N — CID 146656332

IUPAC1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
SMILESCc1ccc(-n2c3c(F)cc(C)cc3c3cc(C)cc(F)c32)c(F)c1
InChIInChI=1S/C21H16F3N/c1-11-4-5-19(16(22)8-11)25-20-14(6-12(2)9-17(20)23)15-7-13(3)10-18(24)21(15)25/h4-10H,1-3H3
InChIKeyVXFNWLNUJAFXPY-UHFFFAOYSA-N
MW339.36 g/mol
LogP6.13
Rot. Bonds1

About 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole

1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole (PubChem CID 146656332) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
PubChem CID146656332
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
SMILESCc1ccc(-n2c3c(F)cc(C)cc3c3cc(C)cc(F)c32)c(F)c1
InChIInChI=1S/C21H16F3N/c1-11-4-5-19(16(22)8-11)25-20-14(6-12(2)9-17(20)23)15-7-13(3)10-18(24)21(15)25/h4-10H,1-3H3
InChIKeyVXFNWLNUJAFXPY-UHFFFAOYSA-N
XLogP6.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
CID 146655153
1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
CID 146656334
1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 177274253
1-(2-fluoro-4-methylphenyl)pyrrole
CID 19759552
3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
CID 146656308
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62741066
3-(2-fluoro-4-methylphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551673
6-chloro-3-(2-fluoro-4-methylphenyl)-1H-benzimidazole-2-thione
CID 43659486
1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol
CID 167308640
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
3-chloro-4-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63384351
9-(2,4-dimethylphenyl)-1,3-dimethylcarbazole
CID 146638363

Frequently Asked Questions

What is the IUPAC name of 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
The IUPAC name of 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole (CID 146656332) is 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole.
What is the SMILES notation for 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
The canonical SMILES for 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole is Cc1ccc(-n2c3c(F)cc(C)cc3c3cc(C)cc(F)c32)c(F)c1.
What is the InChIKey of 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
The InChIKey is VXFNWLNUJAFXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N/c1-11-4-5-19(16(22)8-11)25-20-14(6-12(2)9-17(20)23)15-7-13(3)10-18(24)21(15)25/h4-10H,1-3H3.
What are the key properties of 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole has a molecular weight of 339.36 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole is sourced from PubChem (CID 146656332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).