1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine

C10H17F4N — CID 84735871

IUPAC1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(F)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F4N/c1-7(15)6-8-2-4-9(11,5-3-8)10(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyDXKNIGRRKXNGAV-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.18
Rot. Bonds2

About 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine

1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine (PubChem CID 84735871) has the molecular formula C10H17F4N and a molecular weight of 227.24 g/mol. Its IUPAC name is 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
PubChem CID84735871
Molecular FormulaC10H17F4N
Molecular Weight227.24 g/mol
Exact Mass227.13
IUPAC Name1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(F)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F4N/c1-7(15)6-8-2-4-9(11,5-3-8)10(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyDXKNIGRRKXNGAV-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
The IUPAC name of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine (CID 84735871) is 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine.
What is the SMILES notation for 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
The canonical SMILES for 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine is CC(N)CC1CCC(F)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
The InChIKey is DXKNIGRRKXNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4N/c1-7(15)6-8-2-4-9(11,5-3-8)10(12,13)14/h7-8H,2-6,15H2,1H3.
What are the key properties of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine?
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine has a molecular weight of 227.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine is sourced from PubChem (CID 84735871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).