1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane

C18H30F2 — CID 18344060

IUPAC1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESFCC/C=C/C1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C18H30F2/c19-13-2-1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)12-14-20/h1,3,15-18H,2,4-14H2/b3-1+
InChIKeyCQQYQCSNHXSCJS-HNQUOIGGSA-N
MW284.43 g/mol
LogP5.87
Rot. Bonds6

About 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane

1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (PubChem CID 18344060) has the molecular formula C18H30F2 and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
PubChem CID18344060
Molecular FormulaC18H30F2
Molecular Weight284.43 g/mol
Exact Mass284.23
IUPAC Name1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESFCC/C=C/C1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C18H30F2/c19-13-2-1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)12-14-20/h1,3,15-18H,2,4-14H2/b3-1+
InChIKeyCQQYQCSNHXSCJS-HNQUOIGGSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.43
LogP ≤ 55.87
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

Pen3bcH
CID 13651658
(trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-vinyl-1,1'-bi(cyclohexane)
CID 18341917
bVbcH
CID 18341918
bPebcH
CID 18724338
PeMebcH
CID 20594849
(trans,trans)-4-(Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane)
CID 22290094
4-Ethyl-4'-[(1E)-prop-1-en-1-yl]-1,1'-bi(cyclohexane)
CID 53487146
Pen5bcH
CID 53883875
Pen2bcH
CID 125478995
Cyclohexene,3-cyclohexyl-
CID 137222
Bicyclohexyl-3-ene
CID 524573
1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane
CID 134932160

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (CID 18344060) is 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is FCC/C=C/C1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The InChIKey is CQQYQCSNHXSCJS-HNQUOIGGSA-N. The full InChI is InChI=1S/C18H30F2/c19-13-2-1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)12-14-20/h1,3,15-18H,2,4-14H2/b3-1+.
What are the key properties of 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane has a molecular weight of 284.43 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 18344060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).