2,2-difluorobutane;pyrrolidin-2-ylmethanol

C9H19F2NO — CID 142268462

IUPAC2,2-difluorobutane;pyrrolidin-2-ylmethanol
SMILESCCC(C)(F)F.OCC1CCCN1
InChIInChI=1S/C5H11NO.C4H8F2/c7-4-5-2-1-3-6-5;1-3-4(2,5)6/h5-7H,1-4H2;3H2,1-2H3
InChIKeyYBCWMYFWRAJSEI-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.78
Rot. Bonds2

About 2,2-difluorobutane;pyrrolidin-2-ylmethanol

2,2-difluorobutane;pyrrolidin-2-ylmethanol (PubChem CID 142268462) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2,2-difluorobutane;pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name2,2-difluorobutane;pyrrolidin-2-ylmethanol
PubChem CID142268462
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2,2-difluorobutane;pyrrolidin-2-ylmethanol
SMILESCCC(C)(F)F.OCC1CCCN1
InChIInChI=1S/C5H11NO.C4H8F2/c7-4-5-2-1-3-6-5;1-3-4(2,5)6/h5-7H,1-4H2;3H2,1-2H3
InChIKeyYBCWMYFWRAJSEI-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutane;pyrrolidin-2-ylmethanol?
The IUPAC name of 2,2-difluorobutane;pyrrolidin-2-ylmethanol (CID 142268462) is 2,2-difluorobutane;pyrrolidin-2-ylmethanol.
What is the SMILES notation for 2,2-difluorobutane;pyrrolidin-2-ylmethanol?
The canonical SMILES for 2,2-difluorobutane;pyrrolidin-2-ylmethanol is CCC(C)(F)F.OCC1CCCN1.
What is the InChIKey of 2,2-difluorobutane;pyrrolidin-2-ylmethanol?
The InChIKey is YBCWMYFWRAJSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H8F2/c7-4-5-2-1-3-6-5;1-3-4(2,5)6/h5-7H,1-4H2;3H2,1-2H3.
What are the key properties of 2,2-difluorobutane;pyrrolidin-2-ylmethanol?
2,2-difluorobutane;pyrrolidin-2-ylmethanol has a molecular weight of 195.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutane;pyrrolidin-2-ylmethanol is sourced from PubChem (CID 142268462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).