N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H22F3NO — CID 43435250

IUPACN-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NC2CCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-18-12-7-3-6-11(8-12)17-10-4-1-2-5-10/h10-12,17H,1-9H2
InChIKeyAUMSFOFWNWJTCZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds4

About N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435250) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435250
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NC2CCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-18-12-7-3-6-11(8-12)17-10-4-1-2-5-10/h10-12,17H,1-9H2
InChIKeyAUMSFOFWNWJTCZ-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
CID 170209594
N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435226
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435240
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435243
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine
CID 43435248
N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435249
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine
CID 43435251
N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435888

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435250) is N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is AUMSFOFWNWJTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)9-18-12-7-3-6-11(8-12)17-10-4-1-2-5-10/h10-12,17H,1-9H2.
What are the key properties of N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).