cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene

C20H29F — CID 169218480

IUPACcyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene
SMILESC1CCCCC1.C=C(/C=C\c1ccccc1CC)C(C)F
InChIInChI=1S/C14H17F.C6H12/c1-4-13-7-5-6-8-14(13)10-9-11(2)12(3)15;1-2-4-6-5-3-1/h5-10,12H,2,4H2,1,3H3;1-6H2/b10-9-;
InChIKeyWOFXOENIIPOSCX-KVVVOXFISA-N
MW288.45 g/mol
LogP6.52
Rot. Bonds4

About cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene

cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene (PubChem CID 169218480) has the molecular formula C20H29F and a molecular weight of 288.45 g/mol. Its IUPAC name is cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene.

Molecular Properties

Compound Namecyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene
PubChem CID169218480
Molecular FormulaC20H29F
Molecular Weight288.45 g/mol
Exact Mass288.23
IUPAC Namecyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene
SMILESC1CCCCC1.C=C(/C=C\c1ccccc1CC)C(C)F
InChIInChI=1S/C14H17F.C6H12/c1-4-13-7-5-6-8-14(13)10-9-11(2)12(3)15;1-2-4-6-5-3-1/h5-10,12H,2,4H2,1,3H3;1-6H2/b10-9-;
InChIKeyWOFXOENIIPOSCX-KVVVOXFISA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 56.52
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-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
1-bromo-4-[(3E)-4-(2-ethylphenyl)buta-1,3-dien-2-yl]benzene
CID 121277421
(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
CID 103091261
3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole
CID 153376226
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
CID 102216000
2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
CID 54435957
3-(2-ethylphenyl)prop-2-enenitrile
CID 76943440
(E)-3-[2-(2-hydroxy-3-piperidin-1-ylpropyl)phenyl]prop-2-enoic acid
CID 18372384

Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene?
The IUPAC name of cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene (CID 169218480) is cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene.
What is the SMILES notation for cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene?
The canonical SMILES for cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene is C1CCCCC1.C=C(/C=C\c1ccccc1CC)C(C)F.
What is the InChIKey of cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene?
The InChIKey is WOFXOENIIPOSCX-KVVVOXFISA-N. The full InChI is InChI=1S/C14H17F.C6H12/c1-4-13-7-5-6-8-14(13)10-9-11(2)12(3)15;1-2-4-6-5-3-1/h5-10,12H,2,4H2,1,3H3;1-6H2/b10-9-;.
What are the key properties of cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene?
cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene has a molecular weight of 288.45 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene is sourced from PubChem (CID 169218480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).