1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane

C20H31F5 — CID 58665457

IUPAC1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(/C(F)=C(\F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H31F5/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(21)19(22)20(23,24)25/h14-17H,2-13H2,1H3/b19-18+
InChIKeyVHVHZTWAIIYISD-VHEBQXMUSA-N
MW366.46 g/mol
LogP7.89
Rot. Bonds6

About 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane

1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 58665457) has the molecular formula C20H31F5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID58665457
Molecular FormulaC20H31F5
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(/C(F)=C(\F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H31F5/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(21)19(22)20(23,24)25/h14-17H,2-13H2,1H3/b19-18+
InChIKeyVHVHZTWAIIYISD-VHEBQXMUSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10516029
(2R,4aR,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10539814
[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
CID 11747114
4(4'-Propylcyclohexyl)-1-difluorovinylcyclohexane
CID 10880172
1-(Difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane
CID 11299841
1-(3,3-Difluoroprop-2-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 14692526
1-Butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 14744733
1-(2,2-Difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 15906621
1-(Difluoromethylidene)-3-(4-pentylcyclohexyl)cyclohexane
CID 18396518
4-(trans-4-Propylcyclohexyl)-1-trifluoromethylcyclohex-1-ene
CID 19763109
1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
CID 19763110
1-(3,3-Difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane
CID 19842720

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane (CID 58665457) is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(/C(F)=C(\F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is VHVHZTWAIIYISD-VHEBQXMUSA-N. The full InChI is InChI=1S/C20H31F5/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(21)19(22)20(23,24)25/h14-17H,2-13H2,1H3/b19-18+.
What are the key properties of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane?
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 366.46 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 58665457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).