1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol

C14H18F3NO — CID 65108841

IUPAC1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC(c2ccccc2)C(F)(F)F)CCCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12(11-6-2-1-3-7-11)18-10-13(19)8-4-5-9-13/h1-3,6-7,12,18-19H,4-5,8-10H2
InChIKeyWJJAEGKKYRHHFF-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.18
Rot. Bonds4

About 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol

1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 65108841) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol
PubChem CID65108841
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC(c2ccccc2)C(F)(F)F)CCCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12(11-6-2-1-3-7-11)18-10-13(19)8-4-5-9-13/h1-3,6-7,12,18-19H,4-5,8-10H2
InChIKeyWJJAEGKKYRHHFF-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
N-benzhydryl-2-(1-hydroxycyclopentyl)acetamide
CID 111430201
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
N-(2,2,2-trifluoro-1-phenylethyl)prop-2-en-1-amine
CID 62046108
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
CID 107876214
1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol
CID 112742137
1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 114871638
2-(1-hydroxycyclohexyl)-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]acetamide
CID 75387676
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 111537718
N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861024

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol (CID 65108841) is 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol is OC1(CNC(c2ccccc2)C(F)(F)F)CCCC1.
What is the InChIKey of 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is WJJAEGKKYRHHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12(11-6-2-1-3-7-11)18-10-13(19)8-4-5-9-13/h1-3,6-7,12,18-19H,4-5,8-10H2.
What are the key properties of 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol?
1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).