1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine

C13H16F4N2 — CID 79458677

IUPAC1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F4N2/c14-12-5-4-10(7-11(12)13(15,16)17)19-9-3-1-2-8(18)6-9/h4-5,7-9,19H,1-3,6,18H2
InChIKeyTWMHKNTZZPISDV-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.53
Rot. Bonds2

About 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine

1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine (PubChem CID 79458677) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
PubChem CID79458677
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F4N2/c14-12-5-4-10(7-11(12)13(15,16)17)19-9-3-1-2-8(18)6-9/h4-5,7-9,19H,1-3,6,18H2
InChIKeyTWMHKNTZZPISDV-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine 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

1-N-[4-bromo-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458840
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 107448399
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
CID 79459138
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
CID 103561769
1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458620
4-[4-fluoro-3-(trifluoromethyl)anilino]azepan-2-one
CID 63905394
4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455931
4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64595837
1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458634

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine (CID 79458677) is 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine is NC1CCCC(Nc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine?
The InChIKey is TWMHKNTZZPISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c14-12-5-4-10(7-11(12)13(15,16)17)19-9-3-1-2-8(18)6-9/h4-5,7-9,19H,1-3,6,18H2.
What are the key properties of 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine?
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine has a molecular weight of 276.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).