3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol

C8H15F2NO — CID 177136021

IUPAC3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol
SMILESCC(C)CC1CNC(O)C1(F)F
InChIInChI=1S/C8H15F2NO/c1-5(2)3-6-4-11-7(12)8(6,9)10/h5-7,11-12H,3-4H2,1-2H3
InChIKeyGDLNOBABTZAMHQ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.21
Rot. Bonds2

About 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol

3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol (PubChem CID 177136021) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol
PubChem CID177136021
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol
SMILESCC(C)CC1CNC(O)C1(F)F
InChIInChI=1S/C8H15F2NO/c1-5(2)3-6-4-11-7(12)8(6,9)10/h5-7,11-12H,3-4H2,1-2H3
InChIKeyGDLNOBABTZAMHQ-UHFFFAOYSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol?
The IUPAC name of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol (CID 177136021) is 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol.
What is the SMILES notation for 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol?
The canonical SMILES for 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol is CC(C)CC1CNC(O)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol?
The InChIKey is GDLNOBABTZAMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-5(2)3-6-4-11-7(12)8(6,9)10/h5-7,11-12H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol?
3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol has a molecular weight of 179.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-ol is sourced from PubChem (CID 177136021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).