2,3-difluoro-4-methoxybutan-1-ol

C5H10F2O2 — CID 18965852

IUPAC2,3-difluoro-4-methoxybutan-1-ol
SMILESCOCC(F)C(F)CO
InChIInChI=1S/C5H10F2O2/c1-9-3-5(7)4(6)2-8/h4-5,8H,2-3H2,1H3
InChIKeyZXWPYCVSDOLURU-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.30
Rot. Bonds4

About 2,3-difluoro-4-methoxybutan-1-ol

2,3-difluoro-4-methoxybutan-1-ol (PubChem CID 18965852) has the molecular formula C5H10F2O2 and a molecular weight of 140.13 g/mol. Its IUPAC name is 2,3-difluoro-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2,3-difluoro-4-methoxybutan-1-ol
PubChem CID18965852
Molecular FormulaC5H10F2O2
Molecular Weight140.13 g/mol
Exact Mass140.06
IUPAC Name2,3-difluoro-4-methoxybutan-1-ol
SMILESCOCC(F)C(F)CO
InChIInChI=1S/C5H10F2O2/c1-9-3-5(7)4(6)2-8/h4-5,8H,2-3H2,1H3
InChIKeyZXWPYCVSDOLURU-UHFFFAOYSA-N
XLogP0.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methoxybutan-1-ol?
The IUPAC name of 2,3-difluoro-4-methoxybutan-1-ol (CID 18965852) is 2,3-difluoro-4-methoxybutan-1-ol.
What is the SMILES notation for 2,3-difluoro-4-methoxybutan-1-ol?
The canonical SMILES for 2,3-difluoro-4-methoxybutan-1-ol is COCC(F)C(F)CO.
What is the InChIKey of 2,3-difluoro-4-methoxybutan-1-ol?
The InChIKey is ZXWPYCVSDOLURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O2/c1-9-3-5(7)4(6)2-8/h4-5,8H,2-3H2,1H3.
What are the key properties of 2,3-difluoro-4-methoxybutan-1-ol?
2,3-difluoro-4-methoxybutan-1-ol has a molecular weight of 140.13 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methoxybutan-1-ol is sourced from PubChem (CID 18965852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).