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

C14H18F4N2 — CID 107303892

IUPAC1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1ccc(C(F)(F)F)cc1F)C1CCCC1
InChIInChI=1S/C14H18F4N2/c15-11-7-10(14(16,17)18)5-6-12(11)20-13(8-19)9-3-1-2-4-9/h5-7,9,13,20H,1-4,8,19H2
InChIKeyCUYLVFXIHVULLE-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.77
Rot. Bonds4

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

1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 107303892) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID107303892
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1ccc(C(F)(F)F)cc1F)C1CCCC1
InChIInChI=1S/C14H18F4N2/c15-11-7-10(14(16,17)18)5-6-12(11)20-13(8-19)9-3-1-2-4-9/h5-7,9,13,20H,1-4,8,19H2
InChIKeyCUYLVFXIHVULLE-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine
CID 113326006
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120585032

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 107303892) is 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCC(Nc1ccc(C(F)(F)F)cc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is CUYLVFXIHVULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c15-11-7-10(14(16,17)18)5-6-12(11)20-13(8-19)9-3-1-2-4-9/h5-7,9,13,20H,1-4,8,19H2.
What are the key properties of 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 290.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107303892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).