1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene

C18H26F2 — CID 167138334

IUPAC1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene
SMILESC=CCCCCC(Cc1ccc(CC)cc1)C(C)(F)F
InChIInChI=1S/C18H26F2/c1-4-6-7-8-9-17(18(3,19)20)14-16-12-10-15(5-2)11-13-16/h4,10-13,17H,1,5-9,14H2,2-3H3
InChIKeyQYDMCSTVGJIIIV-UHFFFAOYSA-N
MW280.40 g/mol
LogP5.81
Rot. Bonds9

About 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene

1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene (PubChem CID 167138334) has the molecular formula C18H26F2 and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene
PubChem CID167138334
Molecular FormulaC18H26F2
Molecular Weight280.40 g/mol
Exact Mass280.20
IUPAC Name1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene
SMILESC=CCCCCC(Cc1ccc(CC)cc1)C(C)(F)F
InChIInChI=1S/C18H26F2/c1-4-6-7-8-9-17(18(3,19)20)14-16-12-10-15(5-2)11-13-16/h4,10-13,17H,1,5-9,14H2,2-3H3
InChIKeyQYDMCSTVGJIIIV-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)oct-7-en-1-amine
CID 107008823
1-(4-ethylphenyl)oct-7-enylhydrazine
CID 107012388
N-ethyl-1-(4-fluorophenyl)non-8-en-2-amine
CID 107008868
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235
1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
CID 134981740
1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
CID 107008986
2-[(4-fluorophenyl)methyl]hept-6-enoic acid
CID 79418629
2-propylhept-6-enylbenzene
CID 123998172
N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 104987546

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene?
The IUPAC name of 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene (CID 167138334) is 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene is C=CCCCCC(Cc1ccc(CC)cc1)C(C)(F)F.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene?
The InChIKey is QYDMCSTVGJIIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2/c1-4-6-7-8-9-17(18(3,19)20)14-16-12-10-15(5-2)11-13-16/h4,10-13,17H,1,5-9,14H2,2-3H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene?
1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene has a molecular weight of 280.40 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene is sourced from PubChem (CID 167138334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).