(4,4-Difluoropyrrolidin-3-yl)methanol

C5H9F2NO — CID 84072741

IUPAC(4,4-difluoropyrrolidin-3-yl)methanol
SMILESC1C(C(CN1)(F)F)CO
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8-1-4(5)2-9/h4,8-9H,1-3H2
InChIKeyKZCQPDDTALRRBM-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.20
Rot. Bonds1

About (4,4-Difluoropyrrolidin-3-yl)methanol

(4,4-Difluoropyrrolidin-3-yl)methanol (PubChem CID 84072741) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(4,4-Difluoropyrrolidin-3-yl)methanol
PubChem CID84072741
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(4,4-difluoropyrrolidin-3-yl)methanol
SMILESC1C(C(CN1)(F)F)CO
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8-1-4(5)2-9/h4,8-9H,1-3H2
InChIKeyKZCQPDDTALRRBM-UHFFFAOYSA-N
XLogP-0.20
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity107

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
cis-Pyrrolidine-3,4-diyldimethanol
CID 16726851
(Pyrrolidin-3-yl)methanol hydrochloride
CID 23080030
(3S)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810917
(3R)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810918
rel-(3R,4R)-4-Methyl-3-pyrrolidinemethanol
CID 46835700
rac-[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
CID 49757939
rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 53410317
(3-(Trifluoromethyl)pyrrolidin-3-yl)methanol hydrochloride
CID 53414538
2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
rac-((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
CID 70207388

Frequently Asked Questions

What is the IUPAC name of (4,4-Difluoropyrrolidin-3-yl)methanol?
The IUPAC name of (4,4-Difluoropyrrolidin-3-yl)methanol (CID 84072741) is (4,4-difluoropyrrolidin-3-yl)methanol.
What is the SMILES notation for (4,4-Difluoropyrrolidin-3-yl)methanol?
The canonical SMILES for (4,4-Difluoropyrrolidin-3-yl)methanol is C1C(C(CN1)(F)F)CO.
What is the InChIKey of (4,4-Difluoropyrrolidin-3-yl)methanol?
The InChIKey is KZCQPDDTALRRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)3-8-1-4(5)2-9/h4,8-9H,1-3H2.
What are the key properties of (4,4-Difluoropyrrolidin-3-yl)methanol?
(4,4-Difluoropyrrolidin-3-yl)methanol has a molecular weight of 137.13 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-Difluoropyrrolidin-3-yl)methanol is sourced from PubChem (CID 84072741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).