1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane

C19H33F — CID 18344042

IUPAC1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/CCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C19H33F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2-3,16-19H,4-15H2,1H3/b3-2+
InChIKeyPAGFGXZRELWKRA-NSCUHMNNSA-N
MW280.47 g/mol
LogP6.32
Rot. Bonds6

About 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane

1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (PubChem CID 18344042) has the molecular formula C19H33F and a molecular weight of 280.47 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
PubChem CID18344042
Molecular FormulaC19H33F
Molecular Weight280.47 g/mol
Exact Mass280.26
IUPAC Name1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/CCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C19H33F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2-3,16-19H,4-15H2,1H3/b3-2+
InChIKeyPAGFGXZRELWKRA-NSCUHMNNSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.47
LogP ≤ 56.32
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

(trans,trans)-4-Ethenyl-4'-propyl-1,1'-bicyclohexyl
CID 12097469
(trans,trans)-4-Pentyl-4'-vinyl-1,1'-bi(cyclohexane)
CID 19937987
Pen3bcH
CID 13651658
(trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-vinyl-1,1'-bi(cyclohexane)
CID 18341917
bPebcH
CID 18724338
1-But-3-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 19365402
(trans,trans)-4-Butyl-4'-ethenyl-1,1'-bicyclohexyl
CID 19702460
PeMebcH
CID 20594849
4-Ethenyl-4'-ethyl-1,1'-bi(cyclohexane)
CID 21662229
(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
4-(But-3-EN-1-YL)-4'-pentyl-1,1'-BI(cyclohexane)
CID 53487173

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (CID 18344042) is 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is C/C=C/CCC1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The InChIKey is PAGFGXZRELWKRA-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H33F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2-3,16-19H,4-15H2,1H3/b3-2+.
What are the key properties of 1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
1-(2-fluoroethyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane has a molecular weight of 280.47 g/mol, XLogP of 6.32, 6 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-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 18344042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).