2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol

C5H7F5O — CID 84767515

IUPAC2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol
SMILESOCC(CC(F)(F)F)C(F)F
InChIInChI=1S/C5H7F5O/c6-4(7)3(2-11)1-5(8,9)10/h3-4,11H,1-2H2
InChIKeySVFOYFTVDOWRIX-UHFFFAOYSA-N
MW178.10 g/mol
LogP1.81
Rot. Bonds3

About 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol

2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 84767515) has the molecular formula C5H7F5O and a molecular weight of 178.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol
PubChem CID84767515
Molecular FormulaC5H7F5O
Molecular Weight178.10 g/mol
Exact Mass178.04
IUPAC Name2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol
SMILESOCC(CC(F)(F)F)C(F)F
InChIInChI=1S/C5H7F5O/c6-4(7)3(2-11)1-5(8,9)10/h3-4,11H,1-2H2
InChIKeySVFOYFTVDOWRIX-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol (CID 84767515) is 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol is OCC(CC(F)(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is SVFOYFTVDOWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O/c6-4(7)3(2-11)1-5(8,9)10/h3-4,11H,1-2H2.
What are the key properties of 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol?
2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 178.10 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 84767515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).