4,4-difluoro-3-methyl-4-propoxybut-1-ene

C8H14F2O — CID 123142642

IUPAC4,4-difluoro-3-methyl-4-propoxybut-1-ene
SMILESC=CC(C)C(F)(F)OCCC
InChIInChI=1S/C8H14F2O/c1-4-6-11-8(9,10)7(3)5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyCHBYEXVOVXRILW-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.83
Rot. Bonds5

About 4,4-difluoro-3-methyl-4-propoxybut-1-ene

4,4-difluoro-3-methyl-4-propoxybut-1-ene (PubChem CID 123142642) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-4-propoxybut-1-ene.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-4-propoxybut-1-ene
PubChem CID123142642
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name4,4-difluoro-3-methyl-4-propoxybut-1-ene
SMILESC=CC(C)C(F)(F)OCCC
InChIInChI=1S/C8H14F2O/c1-4-6-11-8(9,10)7(3)5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyCHBYEXVOVXRILW-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene
CID 15507746
4-Ethoxy-4,4-difluorobut-1-ene
CID 134988854
2-Methyl-1-(2,2,3-trifluorobut-3-enoxy)butane
CID 20793149
4-(2,2,2-Trifluoroethoxy)but-1-ene
CID 23466677
O-ethyl 2-(trifluoromethyl)but-3-enethioate
CID 53632448
1-But-3-enoxy-1,1-difluoro-2-methylpropane
CID 58422610
3,4,4,4-Tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene
CID 58864070
4-(1,1-Difluoropropoxy)but-1-ene
CID 88900247
4-(1,1-Difluoroethoxy)but-1-ene
CID 90392459
2-But-3-enoxy-2-fluoro-3-methylbutane
CID 123746714
(3S)-4-(difluoromethoxy)-3-methylbut-1-ene
CID 137399597
(3S)-3-methyl-4-(trifluoromethoxy)but-1-ene
CID 142517844

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-4-propoxybut-1-ene?
The IUPAC name of 4,4-difluoro-3-methyl-4-propoxybut-1-ene (CID 123142642) is 4,4-difluoro-3-methyl-4-propoxybut-1-ene.
What is the SMILES notation for 4,4-difluoro-3-methyl-4-propoxybut-1-ene?
The canonical SMILES for 4,4-difluoro-3-methyl-4-propoxybut-1-ene is C=CC(C)C(F)(F)OCCC.
What is the InChIKey of 4,4-difluoro-3-methyl-4-propoxybut-1-ene?
The InChIKey is CHBYEXVOVXRILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-4-6-11-8(9,10)7(3)5-2/h5,7H,2,4,6H2,1,3H3.
What are the key properties of 4,4-difluoro-3-methyl-4-propoxybut-1-ene?
4,4-difluoro-3-methyl-4-propoxybut-1-ene has a molecular weight of 164.19 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-4-propoxybut-1-ene is sourced from PubChem (CID 123142642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).