1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C11H11F4NO — CID 67022287

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C11H11F4NO/c12-7-1-2-10(9(5-7)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2
InChIKeyRTQUFKCUXSBWDG-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.42
Rot. Bonds1

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 67022287) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID67022287
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C11H11F4NO/c12-7-1-2-10(9(5-7)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2
InChIKeyRTQUFKCUXSBWDG-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 103696653
1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 53408258
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 86810891
2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyacetic acid
CID 58466093
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 77004386
4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-methylsulfonylpiperazine
CID 91101131
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
2-fluoro-3-(trifluoromethyl)aniline;1-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 158004714
2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72699038
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
CID 133446523
1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022301

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 67022287) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OC1CCN(c2ccc(F)cc2C(F)(F)F)C1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is RTQUFKCUXSBWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-7-1-2-10(9(5-7)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 249.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 67022287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).