1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene

C15H18F2 — CID 142957884

IUPAC1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene
SMILESC=C(/C(=C\C)CC)c1ccc(C(C)(F)F)cc1
InChIInChI=1S/C15H18F2/c1-5-12(6-2)11(3)13-7-9-14(10-8-13)15(4,16)17/h5,7-10H,3,6H2,1-2,4H3/b12-5-
InChIKeyFQKCPLWSDDYOBE-XGICHPGQSA-N
MW236.30 g/mol
LogP5.17
Rot. Bonds4

About 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene

1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene (PubChem CID 142957884) has the molecular formula C15H18F2 and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene
PubChem CID142957884
Molecular FormulaC15H18F2
Molecular Weight236.30 g/mol
Exact Mass236.14
IUPAC Name1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene
SMILESC=C(/C(=C\C)CC)c1ccc(C(C)(F)F)cc1
InChIInChI=1S/C15H18F2/c1-5-12(6-2)11(3)13-7-9-14(10-8-13)15(4,16)17/h5,7-10H,3,6H2,1-2,4H3/b12-5-
InChIKeyFQKCPLWSDDYOBE-XGICHPGQSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.30
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane
CID 164897834
2,4-bis(1,1-difluoroethyl)-1-[(3E)-4-methylhexa-1,3-dien-2-yl]benzene
CID 143073321
3-(4-tert-butylphenyl)-2-oxobut-3-enoic acid
CID 13059984
3-amino-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enenitrile
CID 67179938
(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile
CID 144776711
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
CID 176916029
hex-1-en-2-yl 4-(trifluoromethyl)benzoate
CID 11425746
N-[2-[[N-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]-C-methylcarbonimidoyl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 144709124

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene?
The IUPAC name of 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene (CID 142957884) is 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene.
What is the SMILES notation for 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene?
The canonical SMILES for 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene is C=C(/C(=C\C)CC)c1ccc(C(C)(F)F)cc1.
What is the InChIKey of 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene?
The InChIKey is FQKCPLWSDDYOBE-XGICHPGQSA-N. The full InChI is InChI=1S/C15H18F2/c1-5-12(6-2)11(3)13-7-9-14(10-8-13)15(4,16)17/h5,7-10H,3,6H2,1-2,4H3/b12-5-.
What are the key properties of 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene?
1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene has a molecular weight of 236.30 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 142957884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).