[1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C11H19F2NO — CID 126793703

IUPAC[1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2CC(F)(F)C2)C1CO
InChIInChI=1S/C11H19F2NO/c1-8-2-3-14(10(8)7-15)6-9-4-11(12,13)5-9/h8-10,15H,2-7H2,1H3
InChIKeyNIDJZPNUIOLXPR-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.73
Rot. Bonds3

About [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 126793703) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID126793703
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name[1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2CC(F)(F)C2)C1CO
InChIInChI=1S/C11H19F2NO/c1-8-2-3-14(10(8)7-15)6-9-4-11(12,13)5-9/h8-10,15H,2-7H2,1H3
InChIKeyNIDJZPNUIOLXPR-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 126793703) is [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CC2CC(F)(F)C2)C1CO.
What is the InChIKey of [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is NIDJZPNUIOLXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8-2-3-14(10(8)7-15)6-9-4-11(12,13)5-9/h8-10,15H,2-7H2,1H3.
What are the key properties of [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 219.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 126793703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).