[4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol

C9H17F2NO — CID 115019369

IUPAC[4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CC(CO)C(CC(C)(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)3-7-4-12(2)5-8(7)6-13/h7-8,13H,3-6H2,1-2H3
InChIKeyBZPQSYXJIGLVBO-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.20
Rot. Bonds3

About [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol

[4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 115019369) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID115019369
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CC(CO)C(CC(C)(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)3-7-4-12(2)5-8(7)6-13/h7-8,13H,3-6H2,1-2H3
InChIKeyBZPQSYXJIGLVBO-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol (CID 115019369) is [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol is CN1CC(CO)C(CC(C)(F)F)C1.
What is the InChIKey of [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is BZPQSYXJIGLVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(10,11)3-7-4-12(2)5-8(7)6-13/h7-8,13H,3-6H2,1-2H3.
What are the key properties of [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
[4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoropropyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 115019369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).