[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

C19H20F3NO — CID 97147227

IUPAC[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1cccc(C[C@H]2CCN(Cc3cc(F)cc(F)c3F)C2)c1
InChIInChI=1S/C19H20F3NO/c20-17-8-16(19(22)18(21)9-17)11-23-5-4-14(10-23)6-13-2-1-3-15(7-13)12-24/h1-3,7-9,14,24H,4-6,10-12H2/t14-/m1/s1
InChIKeyBDGATNSYLQUAEB-CQSZACIVSA-N
MW335.37 g/mol
LogP3.66
Rot. Bonds5

About [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 97147227) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID97147227
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1cccc(C[C@H]2CCN(Cc3cc(F)cc(F)c3F)C2)c1
InChIInChI=1S/C19H20F3NO/c20-17-8-16(19(22)18(21)9-17)11-23-5-4-14(10-23)6-13-2-1-3-15(7-13)12-24/h1-3,7-9,14,24H,4-6,10-12H2/t14-/m1/s1
InChIKeyBDGATNSYLQUAEB-CQSZACIVSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
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4-fluoro-2-[[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]phenol
CID 136529782
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
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[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97143774
[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72926146
[(2R)-4-[(2,3,5-trifluorophenyl)methyl]piperazin-2-yl]methanol
CID 69098962
[(2S)-4-[(2,3,5-trifluorophenyl)methyl]piperazin-2-yl]methanol
CID 71048484
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
3-cyclopropyl-1-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 72847288
4-[(1-benzylpyrrolidin-3-yl)methyl]benzene-1,3-diol
CID 123562448
2-(cyclopropylmethylsulfanyl)-1-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (CID 97147227) is [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is OCc1cccc(C[C@H]2CCN(Cc3cc(F)cc(F)c3F)C2)c1.
What is the InChIKey of [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is BDGATNSYLQUAEB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-17-8-16(19(22)18(21)9-17)11-23-5-4-14(10-23)6-13-2-1-3-15(7-13)12-24/h1-3,7-9,14,24H,4-6,10-12H2/t14-/m1/s1.
What are the key properties of [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 335.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 97147227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).