4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine

C13H16ClF3N2 — CID 116699040

IUPAC4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16ClF3N2/c14-9-5-8(13(15,16)17)6-12(7-9)19-11-3-1-10(18)2-4-11/h5-7,10-11,19H,1-4,18H2
InChIKeyCOZPJNQMVZKFJF-UHFFFAOYSA-N
MW292.73 g/mol
LogP4.04
Rot. Bonds2

About 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine

4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine (PubChem CID 116699040) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
PubChem CID116699040
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16ClF3N2/c14-9-5-8(13(15,16)17)6-12(7-9)19-11-3-1-10(18)2-4-11/h5-7,10-11,19H,1-4,18H2
InChIKeyCOZPJNQMVZKFJF-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724077
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylcycloheptan-1-amine
CID 116698915
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 116698868
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline
CID 116698793
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethylthian-3-amine
CID 116699027
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
3-chloro-N-(2-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 116698835
3-chloro-5-fluoro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 107363988
3-bromo-N-(4-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 65491009

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine (CID 116699040) is 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine is NC1CCC(Nc2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine?
The InChIKey is COZPJNQMVZKFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c14-9-5-8(13(15,16)17)6-12(7-9)19-11-3-1-10(18)2-4-11/h5-7,10-11,19H,1-4,18H2.
What are the key properties of 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine?
4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine has a molecular weight of 292.73 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 116699040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).