5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

C19H23F3 — CID 139849595

IUPAC5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/C1CCC(C2CCc3c(cc(F)c(F)c3F)C2)CC1
InChIInChI=1S/C19H23F3/c1-2-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)11-17(20)19(22)18(16)21/h2-3,11-14H,4-10H2,1H3/b3-2+
InChIKeyFPIAQCCHEPTMJQ-NSCUHMNNSA-N
MW308.39 g/mol
LogP5.59
Rot. Bonds2

About 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849595) has the molecular formula C19H23F3 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849595
Molecular FormulaC19H23F3
Molecular Weight308.39 g/mol
Exact Mass308.18
IUPAC Name5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/C1CCC(C2CCc3c(cc(F)c(F)c3F)C2)CC1
InChIInChI=1S/C19H23F3/c1-2-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)11-17(20)19(22)18(16)21/h2-3,11-14H,4-10H2,1H3/b3-2+
InChIKeyFPIAQCCHEPTMJQ-NSCUHMNNSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.39
LogP ≤ 55.59
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'}

Analyze 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene 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-fluoro-6-[4-[(E)-prop-1-enyl]cyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 58840095
2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[2-(3,4,5-trifluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853568
5-fluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852688
6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139853441
2-[4-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 139866121
5,6,7-trifluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139866393
5-fluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853585
6,7,8-trifluoro-2-(4-methylcyclohexyl)-1,2,3,4-tetrahydrophenanthrene
CID 59889698
5-fluoro-2-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839991
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
2-(3,5-difluoro-4-methylphenyl)-6-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868610
6-but-3-enyl-5,7-difluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865771

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (CID 139849595) is 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/C1CCC(C2CCc3c(cc(F)c(F)c3F)C2)CC1.
What is the InChIKey of 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FPIAQCCHEPTMJQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H23F3/c1-2-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)11-17(20)19(22)18(16)21/h2-3,11-14H,4-10H2,1H3/b3-2+.
What are the key properties of 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 308.39 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).