3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine

C11H19F4N — CID 84737013

IUPAC3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine
SMILESCNCCCC1CCCC(F)(C(F)(F)F)C1
InChIInChI=1S/C11H19F4N/c1-16-7-3-5-9-4-2-6-10(12,8-9)11(13,14)15/h9,16H,2-8H2,1H3
InChIKeyWXPCWOXILLEEBF-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.45
Rot. Bonds4

About 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine

3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine (PubChem CID 84737013) has the molecular formula C11H19F4N and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine
PubChem CID84737013
Molecular FormulaC11H19F4N
Molecular Weight241.27 g/mol
Exact Mass241.15
IUPAC Name3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine
SMILESCNCCCC1CCCC(F)(C(F)(F)F)C1
InChIInChI=1S/C11H19F4N/c1-16-7-3-5-9-4-2-6-10(12,8-9)11(13,14)15/h9,16H,2-8H2,1H3
InChIKeyWXPCWOXILLEEBF-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
CID 75530738
2-[3-fluoro-3-(trifluoromethyl)cyclohexyl]acetic acid
CID 84735978
3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-2,2-dimethylpropanoic acid
CID 84738712
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
3-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 83916812
2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine
CID 11287105
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 79924224
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine
CID 84737988
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine (CID 84737013) is 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine is CNCCCC1CCCC(F)(C(F)(F)F)C1.
What is the InChIKey of 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine?
The InChIKey is WXPCWOXILLEEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4N/c1-16-7-3-5-9-4-2-6-10(12,8-9)11(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine?
3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine has a molecular weight of 241.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine is sourced from PubChem (CID 84737013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).