[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride

C9H16F3NO — CID 169182531

IUPAC[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride
SMILESF.OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO.FH/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;/h13H,1-7H2;1H
InChIKeyFWZYAWIOEIXCFS-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.25
Rot. Bonds3

About [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride

[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride (PubChem CID 169182531) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride.

Molecular Properties

Compound Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride
PubChem CID169182531
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride
SMILESF.OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO.FH/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;/h13H,1-7H2;1H
InChIKeyFWZYAWIOEIXCFS-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride?
The IUPAC name of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride (CID 169182531) is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride.
What is the SMILES notation for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride?
The canonical SMILES for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride is F.OCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride?
The InChIKey is FWZYAWIOEIXCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.FH/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;/h13H,1-7H2;1H.
What are the key properties of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride?
[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride has a molecular weight of 211.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride is sourced from PubChem (CID 169182531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).