(4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol

C7H13F2NO — CID 146625005

IUPAC(4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)(F)CC1(C)CO
InChIInChI=1S/C7H13F2NO/c1-6(5-11)3-7(8,9)4-10(6)2/h11H,3-5H2,1-2H3
InChIKeyDZHLNVVNOAEUAI-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds1

About (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol

(4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol (PubChem CID 146625005) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol
PubChem CID146625005
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)(F)CC1(C)CO
InChIInChI=1S/C7H13F2NO/c1-6(5-11)3-7(8,9)4-10(6)2/h11H,3-5H2,1-2H3
InChIKeyDZHLNVVNOAEUAI-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
The IUPAC name of (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol (CID 146625005) is (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol is CN1CC(F)(F)CC1(C)CO.
What is the InChIKey of (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
The InChIKey is DZHLNVVNOAEUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-6(5-11)3-7(8,9)4-10(6)2/h11H,3-5H2,1-2H3.
What are the key properties of (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
(4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1,2-dimethylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 146625005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).