[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol

C7H13F2NO — CID 62013740

IUPAC[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)4-10-3-1-2-6(10)5-11/h6-7,11H,1-5H2
InChIKeyGQZMHXIIQNHRCZ-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds3

About [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol

[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol (PubChem CID 62013740) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
PubChem CID62013740
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)4-10-3-1-2-6(10)5-11/h6-7,11H,1-5H2
InChIKeyGQZMHXIIQNHRCZ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol (CID 62013740) is [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CC(F)F.
What is the InChIKey of [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol?
The InChIKey is GQZMHXIIQNHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)4-10-3-1-2-6(10)5-11/h6-7,11H,1-5H2.
What are the key properties of [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol?
[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62013740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).