2-(difluoromethylidene)butan-1-ol

C5H8F2O — CID 151776974

IUPAC2-(difluoromethylidene)butan-1-ol
SMILESCCC(CO)=C(F)F
InChIInChI=1S/C5H8F2O/c1-2-4(3-8)5(6)7/h8H,2-3H2,1H3
InChIKeyRTUCYRFZWAAKQC-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.54
Rot. Bonds2

About 2-(difluoromethylidene)butan-1-ol

2-(difluoromethylidene)butan-1-ol (PubChem CID 151776974) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 2-(difluoromethylidene)butan-1-ol.

Molecular Properties

Compound Name2-(difluoromethylidene)butan-1-ol
PubChem CID151776974
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name2-(difluoromethylidene)butan-1-ol
SMILESCCC(CO)=C(F)F
InChIInChI=1S/C5H8F2O/c1-2-4(3-8)5(6)7/h8H,2-3H2,1H3
InChIKeyRTUCYRFZWAAKQC-UHFFFAOYSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)butan-1-ol?
The IUPAC name of 2-(difluoromethylidene)butan-1-ol (CID 151776974) is 2-(difluoromethylidene)butan-1-ol.
What is the SMILES notation for 2-(difluoromethylidene)butan-1-ol?
The canonical SMILES for 2-(difluoromethylidene)butan-1-ol is CCC(CO)=C(F)F.
What is the InChIKey of 2-(difluoromethylidene)butan-1-ol?
The InChIKey is RTUCYRFZWAAKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-2-4(3-8)5(6)7/h8H,2-3H2,1H3.
What are the key properties of 2-(difluoromethylidene)butan-1-ol?
2-(difluoromethylidene)butan-1-ol has a molecular weight of 122.11 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)butan-1-ol is sourced from PubChem (CID 151776974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).