4-(1,1-difluoroethoxy)but-1-ene

C6H10F2O — CID 90392459

IUPAC4-(1,1-difluoroethoxy)but-1-ene
SMILESC=CCCOC(C)(F)F
InChIInChI=1S/C6H10F2O/c1-3-4-5-9-6(2,7)8/h3H,1,4-5H2,2H3
InChIKeyBPCNSZKMFHZGME-UHFFFAOYSA-N
MW136.14 g/mol
LogP2.19
Rot. Bonds4

About 4-(1,1-difluoroethoxy)but-1-ene

4-(1,1-difluoroethoxy)but-1-ene (PubChem CID 90392459) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxy)but-1-ene.

Molecular Properties

Compound Name4-(1,1-difluoroethoxy)but-1-ene
PubChem CID90392459
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name4-(1,1-difluoroethoxy)but-1-ene
SMILESC=CCCOC(C)(F)F
InChIInChI=1S/C6H10F2O/c1-3-4-5-9-6(2,7)8/h3H,1,4-5H2,2H3
InChIKeyBPCNSZKMFHZGME-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxybut-1-ene
CID 533994
2,2-Difluorobut-3-en-1-yl 2-fluoroethyl ether
CID 91692281
4-Ethoxy-4,4-difluorobut-1-ene
CID 134988854
4-Ethoxy-1,1,2-trifluorobut-1-ene
CID 2737150
1,1,4,4-Tetrafluoro-4-propoxybut-1-ene
CID 18684080
4-(2,2,2-Trifluoroethoxy)but-1-ene
CID 23466677
1-But-3-enoxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 53965729
1-But-3-enoxy-1,1-difluoro-2-methylpropane
CID 58422610
4-[(Trifluoroethenyl)oxy]but-1-ene
CID 71406867
4-(Difluoromethoxy)but-1-ene
CID 87379290
1,1,1-Trifluoro-5-methoxypent-2-ene
CID 87904994
5,5,5-Trifluoro-4-methoxypent-1-ene
CID 87904995

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxy)but-1-ene?
The IUPAC name of 4-(1,1-difluoroethoxy)but-1-ene (CID 90392459) is 4-(1,1-difluoroethoxy)but-1-ene.
What is the SMILES notation for 4-(1,1-difluoroethoxy)but-1-ene?
The canonical SMILES for 4-(1,1-difluoroethoxy)but-1-ene is C=CCCOC(C)(F)F.
What is the InChIKey of 4-(1,1-difluoroethoxy)but-1-ene?
The InChIKey is BPCNSZKMFHZGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-3-4-5-9-6(2,7)8/h3H,1,4-5H2,2H3.
What are the key properties of 4-(1,1-difluoroethoxy)but-1-ene?
4-(1,1-difluoroethoxy)but-1-ene has a molecular weight of 136.14 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxy)but-1-ene is sourced from PubChem (CID 90392459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).