(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol

C8H15F2NO — CID 168941000

IUPAC(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CC(CO)C(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-3-7(4-12)8(9,10)5-11/h6-7,12H,3-5H2,1-2H3
InChIKeyITGZKLXNOHGEIZ-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds2

About (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol

(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol (PubChem CID 168941000) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol
PubChem CID168941000
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CC(CO)C(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-3-7(4-12)8(9,10)5-11/h6-7,12H,3-5H2,1-2H3
InChIKeyITGZKLXNOHGEIZ-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.95
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-propan-2-ylpyrrolidin-3-yl)methanol?
The IUPAC name of (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol (CID 168941000) is (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol is CC(C)N1CC(CO)C(F)(F)C1.
What is the InChIKey of (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol?
The InChIKey is ITGZKLXNOHGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-3-7(4-12)8(9,10)5-11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol?
(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 168941000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).