1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene

C18H25F — CID 19798870

IUPAC1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
SMILESCCCCc1ccc(C2CCC(/C=C/F)CC2)cc1
InChIInChI=1S/C18H25F/c1-2-3-4-15-5-9-17(10-6-15)18-11-7-16(8-12-18)13-14-19/h5-6,9-10,13-14,16,18H,2-4,7-8,11-12H2,1H3/b14-13+
InChIKeyNWSNRDWIFVPSGN-BUHFOSPRSA-N
MW260.40 g/mol
LogP5.79
Rot. Bonds5

About 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene

1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene (PubChem CID 19798870) has the molecular formula C18H25F and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
PubChem CID19798870
Molecular FormulaC18H25F
Molecular Weight260.40 g/mol
Exact Mass260.19
IUPAC Name1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
SMILESCCCCc1ccc(C2CCC(/C=C/F)CC2)cc1
InChIInChI=1S/C18H25F/c1-2-3-4-15-5-9-17(10-6-15)18-11-7-16(8-12-18)13-14-19/h5-6,9-10,13-14,16,18H,2-4,7-8,11-12H2,1H3/b14-13+
InChIKeyNWSNRDWIFVPSGN-BUHFOSPRSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.40
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
CID 67859342
(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
1-butyl-4-[4-[(E)-4-(4-propylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657294
1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
CID 19798776
1-butyl-4-[4-[(E)-4-(4-ethylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657209
5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile
CID 54552630

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene?
The IUPAC name of 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene (CID 19798870) is 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene.
What is the SMILES notation for 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene?
The canonical SMILES for 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene is CCCCc1ccc(C2CCC(/C=C/F)CC2)cc1.
What is the InChIKey of 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene?
The InChIKey is NWSNRDWIFVPSGN-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H25F/c1-2-3-4-15-5-9-17(10-6-15)18-11-7-16(8-12-18)13-14-19/h5-6,9-10,13-14,16,18H,2-4,7-8,11-12H2,1H3/b14-13+.
What are the key properties of 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene?
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene has a molecular weight of 260.40 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene is sourced from PubChem (CID 19798870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).