3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol

C13H15F4NO — CID 103269807

IUPAC3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C13H15F4NO/c14-11-6-9(13(15,16)17)2-4-12(11)18-7-8-1-3-10(19)5-8/h2,4,6,8,10,18-19H,1,3,5,7H2
InChIKeyFGTFABZXZKBUSI-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.42
Rot. Bonds3

About 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol

3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (PubChem CID 103269807) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
PubChem CID103269807
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C13H15F4NO/c14-11-6-9(13(15,16)17)2-4-12(11)18-7-8-1-3-10(19)5-8/h2,4,6,8,10,18-19H,1,3,5,7H2
InChIKeyFGTFABZXZKBUSI-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
3-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 103703444
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
CID 103911705
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-(trifluoromethyl)aniline
CID 106125456
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzoic acid
CID 106137573
4-chloro-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 103269778
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 106136057
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622
3-[[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106832611

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (CID 103269807) is 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is OC1CCC(CNc2ccc(C(F)(F)F)cc2F)C1.
What is the InChIKey of 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The InChIKey is FGTFABZXZKBUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-11-6-9(13(15,16)17)2-4-12(11)18-7-8-1-3-10(19)5-8/h2,4,6,8,10,18-19H,1,3,5,7H2.
What are the key properties of 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol has a molecular weight of 277.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103269807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).