1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene

C19H23F — CID 18657234

IUPAC1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
SMILESCCCC1CCC(/C=C/C#Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23F/c1-2-5-16-8-10-17(11-9-16)6-3-4-7-18-12-14-19(20)15-13-18/h3,6,12-17H,2,5,8-11H2,1H3/b6-3+
InChIKeyRWJUQPKZKYHINX-ZZXKWVIFSA-N
MW270.39 g/mol
LogP5.34
Rot. Bonds3

About 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene

1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene (PubChem CID 18657234) has the molecular formula C19H23F and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
PubChem CID18657234
Molecular FormulaC19H23F
Molecular Weight270.39 g/mol
Exact Mass270.18
IUPAC Name1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
SMILESCCCC1CCC(/C=C/C#Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23F/c1-2-5-16-8-10-17(11-9-16)6-3-4-7-18-12-14-19(20)15-13-18/h3,6,12-17H,2,5,8-11H2,1H3/b6-3+
InChIKeyRWJUQPKZKYHINX-ZZXKWVIFSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
CID 18657244
1-ethoxy-4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657203
1-pentyl-4-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]benzene
CID 54156877
1,2,3-trifluoro-5-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657050
1-pentyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54166796
1-[(E)-4-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]-4-ethylbenzene
CID 18657205
1-[(E)-4-(4-pentylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 18657404
1-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 54231732
1-fluoro-4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54283016
1-butoxy-4-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]benzene
CID 54552723
4-[(E)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzonitrile
CID 18657173
1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 54336754

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene (CID 18657234) is 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene is CCCC1CCC(/C=C/C#Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
The InChIKey is RWJUQPKZKYHINX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H23F/c1-2-5-16-8-10-17(11-9-16)6-3-4-7-18-12-14-19(20)15-13-18/h3,6,12-17H,2,5,8-11H2,1H3/b6-3+.
What are the key properties of 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene has a molecular weight of 270.39 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene is sourced from PubChem (CID 18657234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).