3-(difluoromethyl)pentan-3-ol

C6H12F2O — CID 15783626

IUPAC3-(difluoromethyl)pentan-3-ol
SMILESCCC(O)(CC)C(F)F
InChIInChI=1S/C6H12F2O/c1-3-6(9,4-2)5(7)8/h5,9H,3-4H2,1-2H3
InChIKeyHHTBLYXVRUBLMX-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.80
Rot. Bonds3

About 3-(difluoromethyl)pentan-3-ol

3-(difluoromethyl)pentan-3-ol (PubChem CID 15783626) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 3-(difluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)pentan-3-ol
PubChem CID15783626
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name3-(difluoromethyl)pentan-3-ol
SMILESCCC(O)(CC)C(F)F
InChIInChI=1S/C6H12F2O/c1-3-6(9,4-2)5(7)8/h5,9H,3-4H2,1-2H3
InChIKeyHHTBLYXVRUBLMX-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pentan-3-ol?
The IUPAC name of 3-(difluoromethyl)pentan-3-ol (CID 15783626) is 3-(difluoromethyl)pentan-3-ol.
What is the SMILES notation for 3-(difluoromethyl)pentan-3-ol?
The canonical SMILES for 3-(difluoromethyl)pentan-3-ol is CCC(O)(CC)C(F)F.
What is the InChIKey of 3-(difluoromethyl)pentan-3-ol?
The InChIKey is HHTBLYXVRUBLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-3-6(9,4-2)5(7)8/h5,9H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethyl)pentan-3-ol?
3-(difluoromethyl)pentan-3-ol has a molecular weight of 138.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pentan-3-ol is sourced from PubChem (CID 15783626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).