(Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene

C9H14F2O — CID 142450998

IUPAC(Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene
SMILESC=C(O/C(=C\C)C(C)C)C(F)F
InChIInChI=1S/C9H14F2O/c1-5-8(6(2)3)12-7(4)9(10)11/h5-6,9H,4H2,1-3H3/b8-5-
InChIKeyMEURLYJEWQJHIB-YVMONPNESA-N
MW176.21 g/mol
LogP3.34
Rot. Bonds4

About (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene

(Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene (PubChem CID 142450998) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene.

Molecular Properties

Compound Name(Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene
PubChem CID142450998
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene
SMILESC=C(O/C(=C\C)C(C)C)C(F)F
InChIInChI=1S/C9H14F2O/c1-5-8(6(2)3)12-7(4)9(10)11/h5-6,9H,4H2,1-3H3/b8-5-
InChIKeyMEURLYJEWQJHIB-YVMONPNESA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.34
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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Related Compounds

1-Methoxy-6-(trifluoromethyl)cyclohexa-1,4-diene
CID 53942069
1-Trifluoromethyl-1-ethoxy-1,4-pentadiene
CID 54194461
(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene
CID 88746907
2,2-Difluoro-3,3,5-trimethylfuran
CID 90245138
3-(2,2,2-Trifluoroethoxy)pent-2-ene
CID 91508980
2-(Trifluoromethoxy)pent-2-ene
CID 91558348
3-(Trifluoromethoxy)pent-2-ene
CID 123146462
3-(Difluoromethoxy)-2-methylhex-3-ene
CID 123361665
(E)-2-(2-fluorobutan-2-yloxy)pent-2-ene
CID 132125264
(E)-1,1-difluoro-2-methoxypent-2-ene
CID 132263548
(4E)-2-methyl-5-(trifluoromethoxy)hepta-2,4-diene
CID 141893661
(Z)-3-ethenoxy-5,5,5-trifluoro-4-methylpent-2-ene
CID 142180765

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene?
The IUPAC name of (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene (CID 142450998) is (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene.
What is the SMILES notation for (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene?
The canonical SMILES for (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene is C=C(O/C(=C\C)C(C)C)C(F)F.
What is the InChIKey of (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene?
The InChIKey is MEURLYJEWQJHIB-YVMONPNESA-N. The full InChI is InChI=1S/C9H14F2O/c1-5-8(6(2)3)12-7(4)9(10)11/h5-6,9H,4H2,1-3H3/b8-5-.
What are the key properties of (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene?
(Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene has a molecular weight of 176.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,3-difluoroprop-1-en-2-yloxy)-4-methylpent-2-ene is sourced from PubChem (CID 142450998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).