5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol

C11H13F2NO — CID 115529332

IUPAC5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CNC(c2cccc(C(F)F)c2)C1
InChIInChI=1S/C11H13F2NO/c12-11(13)8-3-1-2-7(4-8)10-5-9(15)6-14-10/h1-4,9-11,14-15H,5-6H2
InChIKeyMMZLRSFDRADYBZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.02
Rot. Bonds2

About 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol

5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 115529332) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID115529332
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CNC(c2cccc(C(F)F)c2)C1
InChIInChI=1S/C11H13F2NO/c12-11(13)8-3-1-2-7(4-8)10-5-9(15)6-14-10/h1-4,9-11,14-15H,5-6H2
InChIKeyMMZLRSFDRADYBZ-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 67330070
3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine
CID 115528319
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
CID 55264090
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288
2-[3-(difluoromethyl)phenyl]oxolan-3-amine
CID 115530352
5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117376080
3-cyclopentyl-4-[3-(difluoromethyl)phenyl]piperidine
CID 115927082
5-[4-(difluoromethyl)-2-hydroxyphenyl]pyrrolidine-3-carboxylic acid
CID 117395835
(3R,5R)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-ol;dihydrochloride
CID 70264436
[3-(difluoromethyl)phenyl]methanediol
CID 162564421

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol (CID 115529332) is 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol is OC1CNC(c2cccc(C(F)F)c2)C1.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is MMZLRSFDRADYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13)8-3-1-2-7(4-8)10-5-9(15)6-14-10/h1-4,9-11,14-15H,5-6H2.
What are the key properties of 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol?
5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 213.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 115529332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).