1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene

C31H41F — CID 54416262

IUPAC1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCC=CC1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H41F/c1-2-3-24-6-14-28(15-7-24)29-16-8-25(9-17-29)4-5-26-10-18-30(19-11-26)31-20-12-27(13-21-31)22-23-32/h2-3,10-13,18-21,24-25,28-29H,4-9,14-17,22-23H2,1H3
InChIKeyVXQMRXUIDZWNJW-UHFFFAOYSA-N
MW432.67 g/mol
LogP8.99
Rot. Bonds8

About 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene

1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene (PubChem CID 54416262) has the molecular formula C31H41F and a molecular weight of 432.67 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
PubChem CID54416262
Molecular FormulaC31H41F
Molecular Weight432.67 g/mol
Exact Mass432.32
IUPAC Name1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCC=CC1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H41F/c1-2-3-24-6-14-28(15-7-24)29-16-8-25(9-17-29)4-5-26-10-18-30(19-11-26)31-20-12-27(13-21-31)22-23-32/h2-3,10-13,18-21,24-25,28-29H,4-9,14-17,22-23H2,1H3
InChIKeyVXQMRXUIDZWNJW-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.67
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54227543
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-methyl-4-[2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 20588787
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
CID 18656555
2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine
CID 19094961
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275
6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene
CID 139861661
2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21265276
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
The IUPAC name of 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene (CID 54416262) is 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
The canonical SMILES for 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene is CC=CC1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
The InChIKey is VXQMRXUIDZWNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F/c1-2-3-24-6-14-28(15-7-24)29-16-8-25(9-17-29)4-5-26-10-18-30(19-11-26)31-20-12-27(13-21-31)22-23-32/h2-3,10-13,18-21,24-25,28-29H,4-9,14-17,22-23H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene has a molecular weight of 432.67 g/mol, XLogP of 8.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene is sourced from PubChem (CID 54416262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).