3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C12H22F3NO — CID 111461931

IUPAC3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(CCC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-16(7-3-9-17)8-6-11-4-1-2-5-11/h11,17H,1-10H2
InChIKeyLTADAMFEZAAQPZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds7

About 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111461931) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111461931
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(CCC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-16(7-3-9-17)8-6-11-4-1-2-5-11/h11,17H,1-10H2
InChIKeyLTADAMFEZAAQPZ-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134
3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857392
3-[cyclobutylmethyl(2-hydroxyethyl)amino]propan-1-ol
CID 68639029
8-cyclopentyloctan-1-ol
CID 19083491
4-cycloheptylbutan-1-ol
CID 54439965
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111110103
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494751
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620
N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022273
11-cyclohexylundecan-1-ol
CID 18980516
N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
CID 54609597

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111461931) is 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is OCCCN(CCC1CCCC1)CC(F)(F)F.
What is the InChIKey of 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is LTADAMFEZAAQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-16(7-3-9-17)8-6-11-4-1-2-5-11/h11,17H,1-10H2.
What are the key properties of 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111461931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).