1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene

C18H23F3 — CID 67589474

IUPAC1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene
SMILESCCC/C=C(\C)C1CCC(c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H23F3/c1-3-4-5-12(2)13-6-8-14(9-7-13)15-10-16(19)18(21)17(20)11-15/h5,10-11,13-14H,3-4,6-9H2,1-2H3/b12-5+
InChIKeyABAIEWNPZQASMM-LFYBBSHMSA-N
MW296.38 g/mol
LogP6.12
Rot. Bonds4

About 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene

1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene (PubChem CID 67589474) has the molecular formula C18H23F3 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene
PubChem CID67589474
Molecular FormulaC18H23F3
Molecular Weight296.38 g/mol
Exact Mass296.18
IUPAC Name1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene
SMILESCCC/C=C(\C)C1CCC(c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H23F3/c1-3-4-5-12(2)13-6-8-14(9-7-13)15-10-16(19)18(21)17(20)11-15/h5,10-11,13-14H,3-4,6-9H2,1-2H3/b12-5+
InChIKeyABAIEWNPZQASMM-LFYBBSHMSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.38
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-5-[4-(4-hex-2-enylcyclohexyl)cyclohexyl]benzene
CID 54188231
1,2,3-trifluoro-5-[4-[4-[(E)-hex-2-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589936
1,2,3-trifluoro-5-[4-[4-[(E)-oct-4-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589726
4-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 19746986
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
CID 56985726
1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 19967704
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
ethyl (E)-3-[4-(3,4,5-trifluorophenyl)cyclohexyl]prop-2-enoate
CID 86708829
1,2,3-trifluoro-5-[4-[2-(4-hex-4-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54387673

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene (CID 67589474) is 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene is CCC/C=C(\C)C1CCC(c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene?
The InChIKey is ABAIEWNPZQASMM-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H23F3/c1-3-4-5-12(2)13-6-8-14(9-7-13)15-10-16(19)18(21)17(20)11-15/h5,10-11,13-14H,3-4,6-9H2,1-2H3/b12-5+.
What are the key properties of 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene?
1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene has a molecular weight of 296.38 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[4-[(E)-hex-2-en-2-yl]cyclohexyl]benzene is sourced from PubChem (CID 67589474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).