3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride

C13H15ClF3NO — CID 171092805

IUPAC3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(/C=C/c2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H14F3NO.ClH/c14-13(15,16)11-3-1-10(2-4-11)5-6-12(18)7-8-17-9-12;/h1-6,17-18H,7-9H2;1H/b6-5+;
InChIKeyLYACCDKUSTZRBN-IPZCTEOASA-N
MW293.72 g/mol
LogP2.86
Rot. Bonds2

About 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride

3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 171092805) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride
PubChem CID171092805
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(/C=C/c2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H14F3NO.ClH/c14-13(15,16)11-3-1-10(2-4-11)5-6-12(18)7-8-17-9-12;/h1-6,17-18H,7-9H2;1H/b6-5+;
InChIKeyLYACCDKUSTZRBN-IPZCTEOASA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-(4-fluorophenyl)ethenyl]piperidin-4-ol
CID 59003476
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
(2S)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
CID 139543309
N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 116999995
(E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 117061556
2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine
CID 162585797
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
(3S)-3-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 89317969
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylic acid
CID 130454938
3-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrrolidine
CID 171092981
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride (CID 171092805) is 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1(/C=C/c2ccc(C(F)(F)F)cc2)CCNC1.
What is the InChIKey of 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is LYACCDKUSTZRBN-IPZCTEOASA-N. The full InChI is InChI=1S/C13H14F3NO.ClH/c14-13(15,16)11-3-1-10(2-4-11)5-6-12(18)7-8-17-9-12;/h1-6,17-18H,7-9H2;1H/b6-5+;.
What are the key properties of 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride?
3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 293.72 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 171092805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).