(1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol

C7H13F2NO — CID 126989719

IUPAC(1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol
SMILESCCN1CC(F)(F)CC1CO
InChIInChI=1S/C7H13F2NO/c1-2-10-5-7(8,9)3-6(10)4-11/h6,11H,2-5H2,1H3
InChIKeyXRZDVMXFCAEFOD-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds2

About (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol

(1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol (PubChem CID 126989719) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol
PubChem CID126989719
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol
SMILESCCN1CC(F)(F)CC1CO
InChIInChI=1S/C7H13F2NO/c1-2-10-5-7(8,9)3-6(10)4-11/h6,11H,2-5H2,1H3
InChIKeyXRZDVMXFCAEFOD-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-ethyl-4,4-difluoropyrrolidin-2-yl)methanol?
The IUPAC name of (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol (CID 126989719) is (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol?
The canonical SMILES for (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol is CCN1CC(F)(F)CC1CO.
What is the InChIKey of (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol?
The InChIKey is XRZDVMXFCAEFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-10-5-7(8,9)3-6(10)4-11/h6,11H,2-5H2,1H3.
What are the key properties of (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol?
(1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4,4-difluoropyrrolidin-2-yl)methanol is sourced from PubChem (CID 126989719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).