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

C15H19F4NO — CID 131932947

IUPAC2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C15H19F4NO/c1-14(2,21)12-5-6-20(9-12)8-10-3-4-11(7-13(10)16)15(17,18)19/h3-4,7,12,21H,5-6,8-9H2,1-2H3
InChIKeyVTTBBDYQURQSQV-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.44
Rot. Bonds3

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

2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 131932947) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
PubChem CID131932947
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C15H19F4NO/c1-14(2,21)12-5-6-20(9-12)8-10-3-4-11(7-13(10)16)15(17,18)19/h3-4,7,12,21H,5-6,8-9H2,1-2H3
InChIKeyVTTBBDYQURQSQV-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 131925071
tert-butyl 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 118378621
(3R,4R)-3-(cyclopropylmethyl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 155919400
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120842020
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 95560258
4-tert-butyl-1-[(2-fluoro-4-isocyanophenyl)methyl]piperidine
CID 176872369
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131912751
tert-butyl 7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162745676
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 120841490

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol (CID 131932947) is 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2ccc(C(F)(F)F)cc2F)C1.
What is the InChIKey of 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
The InChIKey is VTTBBDYQURQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-14(2,21)12-5-6-20(9-12)8-10-3-4-11(7-13(10)16)15(17,18)19/h3-4,7,12,21H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 305.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 131932947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).