3,3-difluoro-2-methoxybut-1-ene

C5H8F2O — CID 89018192

IUPAC3,3-difluoro-2-methoxybut-1-ene
SMILESC=C(OC)C(C)(F)F
InChIInChI=1S/C5H8F2O/c1-4(8-3)5(2,6)7/h1H2,2-3H3
InChIKeyCEKLTQHKKBTOGF-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.80
Rot. Bonds2

About 3,3-difluoro-2-methoxybut-1-ene

3,3-difluoro-2-methoxybut-1-ene (PubChem CID 89018192) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 3,3-difluoro-2-methoxybut-1-ene.

Molecular Properties

Compound Name3,3-difluoro-2-methoxybut-1-ene
PubChem CID89018192
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name3,3-difluoro-2-methoxybut-1-ene
SMILESC=C(OC)C(C)(F)F
InChIInChI=1S/C5H8F2O/c1-4(8-3)5(2,6)7/h1H2,2-3H3
InChIKeyCEKLTQHKKBTOGF-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methoxybut-1-ene?
The IUPAC name of 3,3-difluoro-2-methoxybut-1-ene (CID 89018192) is 3,3-difluoro-2-methoxybut-1-ene.
What is the SMILES notation for 3,3-difluoro-2-methoxybut-1-ene?
The canonical SMILES for 3,3-difluoro-2-methoxybut-1-ene is C=C(OC)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-methoxybut-1-ene?
The InChIKey is CEKLTQHKKBTOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4(8-3)5(2,6)7/h1H2,2-3H3.
What are the key properties of 3,3-difluoro-2-methoxybut-1-ene?
3,3-difluoro-2-methoxybut-1-ene has a molecular weight of 122.11 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methoxybut-1-ene is sourced from PubChem (CID 89018192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).