4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol

C10H19F2NO — CID 130624309

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-8(14)9(2,3)6-13-5-4-10(11,12)7-13/h8,14H,4-7H2,1-3H3
InChIKeyRJVKDZKFIUTWRP-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds3

About 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol

4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol (PubChem CID 130624309) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
PubChem CID130624309
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-8(14)9(2,3)6-13-5-4-10(11,12)7-13/h8,14H,4-7H2,1-3H3
InChIKeyRJVKDZKFIUTWRP-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol (CID 130624309) is 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is RJVKDZKFIUTWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(14)9(2,3)6-13-5-4-10(11,12)7-13/h8,14H,4-7H2,1-3H3.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol?
4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 207.26 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 4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 130624309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).