(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol

C6H11F2NO — CID 72619538

IUPAC(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)(F)CC1CO
InChIInChI=1S/C6H11F2NO/c1-9-4-6(7,8)2-5(9)3-10/h5,10H,2-4H2,1H3
InChIKeyXTBIVKQOFIPRQX-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds1

About (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol

(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol (PubChem CID 72619538) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
PubChem CID72619538
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)(F)CC1CO
InChIInChI=1S/C6H11F2NO/c1-9-4-6(7,8)2-5(9)3-10/h5,10H,2-4H2,1H3
InChIKeyXTBIVKQOFIPRQX-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol (CID 72619538) is (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol is CN1CC(F)(F)CC1CO.
What is the InChIKey of (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The InChIKey is XTBIVKQOFIPRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-9-4-6(7,8)2-5(9)3-10/h5,10H,2-4H2,1H3.
What are the key properties of (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol has a molecular weight of 151.16 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 72619538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).