1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine

C16H21F4N — CID 107288007

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H21F4N/c1-10(2)11-5-7-15(21,8-6-11)12-3-4-13(14(17)9-12)16(18,19)20/h3-4,9-11H,5-8,21H2,1-2H3
InChIKeyBZWSDLADDLKHSX-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.84
Rot. Bonds2

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 107288007) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID107288007
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H21F4N/c1-10(2)11-5-7-15(21,8-6-11)12-3-4-13(14(17)9-12)16(18,19)20/h3-4,9-11H,5-8,21H2,1-2H3
InChIKeyBZWSDLADDLKHSX-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine (CID 107288007) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(c2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BZWSDLADDLKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-10(2)11-5-7-15(21,8-6-11)12-3-4-13(14(17)9-12)16(18,19)20/h3-4,9-11H,5-8,21H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 303.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107288007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).