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

C7H12F2O — CID 88900247

IUPAC4-(1,1-difluoropropoxy)but-1-ene
SMILESC=CCCOC(F)(F)CC
InChIInChI=1S/C7H12F2O/c1-3-5-6-10-7(8,9)4-2/h3H,1,4-6H2,2H3
InChIKeyJKZDVLBFOLTGNV-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.58
Rot. Bonds5

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

4-(1,1-difluoropropoxy)but-1-ene (PubChem CID 88900247) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 4-(1,1-difluoropropoxy)but-1-ene.

Molecular Properties

Compound Name4-(1,1-difluoropropoxy)but-1-ene
PubChem CID88900247
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name4-(1,1-difluoropropoxy)but-1-ene
SMILESC=CCCOC(F)(F)CC
InChIInChI=1S/C7H12F2O/c1-3-5-6-10-7(8,9)4-2/h3H,1,4-6H2,2H3
InChIKeyJKZDVLBFOLTGNV-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.58
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

5-but-3-enoxy-5-fluoronona-1,8-diene
CID 122631410
4-ethoxybut-1-ene
CID 533994
5-ethyl-5-methoxy-6-methylhept-1-ene
CID 23385160
3-but-3-enoxy-3-methyldodec-1-ene
CID 25185090
2-but-3-enoxy-2-methylpentanoic acid
CID 114988966
diethoxy-fluoro-pent-4-enoxysilane
CID 174795187
CID 54571627
CID 54571627
but-3-enoxy(ditert-butyl)silane
CID 123806243
(111C)pent-1-ene
CID 177423582
2-but-3-enylperoxyethyl 2,2-dimethylbutanoate
CID 58716051
2-but-3-enoxy-2,4-dimethyl-1-nitropentan-3-one
CID 10036781
2-ethyl-2-fluorobut-3-en-1-amine
CID 112565923

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropoxy)but-1-ene?
The IUPAC name of 4-(1,1-difluoropropoxy)but-1-ene (CID 88900247) is 4-(1,1-difluoropropoxy)but-1-ene.
What is the SMILES notation for 4-(1,1-difluoropropoxy)but-1-ene?
The canonical SMILES for 4-(1,1-difluoropropoxy)but-1-ene is C=CCCOC(F)(F)CC.
What is the InChIKey of 4-(1,1-difluoropropoxy)but-1-ene?
The InChIKey is JKZDVLBFOLTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-3-5-6-10-7(8,9)4-2/h3H,1,4-6H2,2H3.
What are the key properties of 4-(1,1-difluoropropoxy)but-1-ene?
4-(1,1-difluoropropoxy)but-1-ene has a molecular weight of 150.17 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropoxy)but-1-ene is sourced from PubChem (CID 88900247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).