4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine

C14H18F4N2 — CID 107303820

IUPAC4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C14H18F4N2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)15)14(16,17)18/h2,7-8,10-11,19-20H,3-6H2,1H3
InChIKeyXSGOLJVTYTZYKO-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.79
Rot. Bonds3

About 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine

4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine (PubChem CID 107303820) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
PubChem CID107303820
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C14H18F4N2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)15)14(16,17)18/h2,7-8,10-11,19-20H,3-6H2,1H3
InChIKeyXSGOLJVTYTZYKO-UHFFFAOYSA-N
XLogP3.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline
CID 113238887
N-[2-fluoro-4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 103704322
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
CID 103873048
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303636
N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303637
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
CID 107303866
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,1-dioxothian-4-amine
CID 63037005
2-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63510359
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
CID 103911705

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine (CID 107303820) is 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is XSGOLJVTYTZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)15)14(16,17)18/h2,7-8,10-11,19-20H,3-6H2,1H3.
What are the key properties of 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine?
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 290.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 107303820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).