1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol

C9H17F2NO — CID 126989193

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-3-8(2,13)6-12-5-4-9(10,11)7-12/h13H,3-7H2,1-2H3
InChIKeyCWDWUDCWCIEVQW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds3

About 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol

1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol (PubChem CID 126989193) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol
PubChem CID126989193
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-3-8(2,13)6-12-5-4-9(10,11)7-12/h13H,3-7H2,1-2H3
InChIKeyCWDWUDCWCIEVQW-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol (CID 126989193) is 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol is CCC(C)(O)CN1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol?
The InChIKey is CWDWUDCWCIEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-8(2,13)6-12-5-4-9(10,11)7-12/h13H,3-7H2,1-2H3.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol?
1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 126989193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).