N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine

C12H22F3N — CID 115708422

IUPACN-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCCC1CCCCC1
InChIInChI=1S/C12H22F3N/c1-10(9-12(13,14)15)16-8-7-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3
InChIKeyKBTSQKLFOOOKCY-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.89
Rot. Bonds5

About N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine

N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine (PubChem CID 115708422) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
PubChem CID115708422
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC NameN-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCCC1CCCCC1
InChIInChI=1S/C12H22F3N/c1-10(9-12(13,14)15)16-8-7-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3
InChIKeyKBTSQKLFOOOKCY-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436
2-(2-cycloheptylethylamino)propan-1-ol
CID 56854236
(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine
CID 64630559
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
N-(2-cyclobutylethyl)propan-2-amine;molecular hydrogen
CID 171515150
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine (CID 115708422) is N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine?
The InChIKey is KBTSQKLFOOOKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-10(9-12(13,14)15)16-8-7-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine?
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine has a molecular weight of 237.31 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 115708422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).