(4,4-difluoropyrrolidin-3-yl)methanol;ethane

C7H15F2NO — CID 167499343

IUPAC(4,4-difluoropyrrolidin-3-yl)methanol;ethane
SMILESCC.OCC1CNCC1(F)F
InChIInChI=1S/C5H9F2NO.C2H6/c6-5(7)3-8-1-4(5)2-9;1-2/h4,8-9H,1-3H2;1-2H3
InChIKeyXIUKVUYSZIPZOD-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.86
Rot. Bonds1

About (4,4-difluoropyrrolidin-3-yl)methanol;ethane

(4,4-difluoropyrrolidin-3-yl)methanol;ethane (PubChem CID 167499343) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-3-yl)methanol;ethane.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-3-yl)methanol;ethane
PubChem CID167499343
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name(4,4-difluoropyrrolidin-3-yl)methanol;ethane
SMILESCC.OCC1CNCC1(F)F
InChIInChI=1S/C5H9F2NO.C2H6/c6-5(7)3-8-1-4(5)2-9;1-2/h4,8-9H,1-3H2;1-2H3
InChIKeyXIUKVUYSZIPZOD-UHFFFAOYSA-N
XLogP0.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-3-yl)methanol;ethane?
The IUPAC name of (4,4-difluoropyrrolidin-3-yl)methanol;ethane (CID 167499343) is (4,4-difluoropyrrolidin-3-yl)methanol;ethane.
What is the SMILES notation for (4,4-difluoropyrrolidin-3-yl)methanol;ethane?
The canonical SMILES for (4,4-difluoropyrrolidin-3-yl)methanol;ethane is CC.OCC1CNCC1(F)F.
What is the InChIKey of (4,4-difluoropyrrolidin-3-yl)methanol;ethane?
The InChIKey is XIUKVUYSZIPZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.C2H6/c6-5(7)3-8-1-4(5)2-9;1-2/h4,8-9H,1-3H2;1-2H3.
What are the key properties of (4,4-difluoropyrrolidin-3-yl)methanol;ethane?
(4,4-difluoropyrrolidin-3-yl)methanol;ethane has a molecular weight of 167.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-3-yl)methanol;ethane is sourced from PubChem (CID 167499343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).