[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol

C13H17F2NO2 — CID 75467118

IUPAC[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c14-13(15)18-12-5-3-10(4-6-12)8-16-7-1-2-11(16)9-17/h3-6,11,13,17H,1-2,7-9H2
InChIKeyXUJHAWFCHORHGG-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.24
Rot. Bonds5

About [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol

[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 75467118) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID75467118
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c14-13(15)18-12-5-3-10(4-6-12)8-16-7-1-2-11(16)9-17/h3-6,11,13,17H,1-2,7-9H2
InChIKeyXUJHAWFCHORHGG-UHFFFAOYSA-N
XLogP2.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510
1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249108
1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 6363229
[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 162650307
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
2-[4-[[4-(difluoromethoxy)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45205105
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 75467118) is [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is XUJHAWFCHORHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-13(15)18-12-5-3-10(4-6-12)8-16-7-1-2-11(16)9-17/h3-6,11,13,17H,1-2,7-9H2.
What are the key properties of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 257.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 75467118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).