1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol

C13H15F4NO — CID 65210798

IUPAC1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2cc(C(F)(F)F)ccc2F)CCCC1
InChIInChI=1S/C13H15F4NO/c14-10-4-3-9(13(15,16)17)7-11(10)18-8-12(19)5-1-2-6-12/h3-4,7,18-19H,1-2,5-6,8H2
InChIKeyKPWQPDCEYVIVFY-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.56
Rot. Bonds3

About 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol

1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (PubChem CID 65210798) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
PubChem CID65210798
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2cc(C(F)(F)F)ccc2F)CCCC1
InChIInChI=1S/C13H15F4NO/c14-10-4-3-9(13(15,16)17)7-11(10)18-8-12(19)5-1-2-6-12/h3-4,7,18-19H,1-2,5-6,8H2
InChIKeyKPWQPDCEYVIVFY-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 60899190
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 115669125
1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 63037709
N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036495
N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[[3-bromo-5-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 65490239

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (CID 65210798) is 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is OC1(CNc2cc(C(F)(F)F)ccc2F)CCCC1.
What is the InChIKey of 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The InChIKey is KPWQPDCEYVIVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-10-4-3-9(13(15,16)17)7-11(10)18-8-12(19)5-1-2-6-12/h3-4,7,18-19H,1-2,5-6,8H2.
What are the key properties of 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol has a molecular weight of 277.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).