1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene

C18H21F3 — CID 19967704

IUPAC1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
SMILESCC/C=C/C=C/C1CCC(c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H21F3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-11-16(19)18(21)17(20)12-15/h3-6,11-14H,2,7-10H2,1H3/b4-3+,6-5+
InChIKeyRUSJFAGHKCNEJX-VNKDHWASSA-N
MW294.36 g/mol
LogP5.90
Rot. Bonds4

About 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene

1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene (PubChem CID 19967704) has the molecular formula C18H21F3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
PubChem CID19967704
Molecular FormulaC18H21F3
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
SMILESCC/C=C/C=C/C1CCC(c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H21F3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-11-16(19)18(21)17(20)12-15/h3-6,11-14H,2,7-10H2,1H3/b4-3+,6-5+
InChIKeyRUSJFAGHKCNEJX-VNKDHWASSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
5-[4-[(E)-4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 18657424
5-[4-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-2-[2-[2-[4-[4-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-2,6-difluorophenyl]ethoxy]ethyl]-1,3-difluorobenzene
CID 140976283
5-[4-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-2-[3-[3-[4-[4-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-2,6-difluorophenyl]propoxy]propyl]-1,3-difluorobenzene
CID 140976244
ethyl (E)-3-[4-(3,4,5-trifluorophenyl)cyclohexyl]prop-2-enoate
CID 86708829
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
5-[4-[2-[4-[(E)-but-1-enyl]cyclohexyl]ethyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 67588955
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67589506
1,2,3-trifluoro-5-[4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695249
1,2,3-trifluoro-5-[4-(4-hex-2-enylcyclohexyl)cyclohexyl]benzene
CID 54188231

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene (CID 19967704) is 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene is CC/C=C/C=C/C1CCC(c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
The InChIKey is RUSJFAGHKCNEJX-VNKDHWASSA-N. The full InChI is InChI=1S/C18H21F3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-11-16(19)18(21)17(20)12-15/h3-6,11-14H,2,7-10H2,1H3/b4-3+,6-5+.
What are the key properties of 1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene has a molecular weight of 294.36 g/mol, XLogP of 5.90, 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-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene is sourced from PubChem (CID 19967704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).