4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine

C16H21F3N2 — CID 71553306

IUPAC4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)11-3-1-10(2-4-11)14-9-15(14)21-13-7-5-12(20)6-8-13/h1-4,12-15,21H,5-9,20H2
InChIKeyFVUKYUBBWHTHQT-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.42
Rot. Bonds3

About 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine

4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 71553306) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
PubChem CID71553306
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)11-3-1-10(2-4-11)14-9-15(14)21-13-7-5-12(20)6-8-13/h1-4,12-15,21H,5-9,20H2
InChIKeyFVUKYUBBWHTHQT-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine (CID 71553306) is 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine is NC1CCC(NC2CC2c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is FVUKYUBBWHTHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-16(18,19)11-3-1-10(2-4-11)14-9-15(14)21-13-7-5-12(20)6-8-13/h1-4,12-15,21H,5-9,20H2.
What are the key properties of 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 298.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71553306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).