1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene

C19H22F6 — CID 19695580

IUPAC1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene
SMILESFCc1c(F)cc(C2CCC(CC/C=C/CC(F)(F)F)CC2)cc1F
InChIInChI=1S/C19H22F6/c20-12-16-17(21)10-15(11-18(16)22)14-7-5-13(6-8-14)4-2-1-3-9-19(23,24)25/h1,3,10-11,13-14H,2,4-9,12H2/b3-1+
InChIKeyBHDXOESWVMRRRS-HNQUOIGGSA-N
MW364.37 g/mol
LogP7.00
Rot. Bonds6

About 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene

1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene (PubChem CID 19695580) has the molecular formula C19H22F6 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene
PubChem CID19695580
Molecular FormulaC19H22F6
Molecular Weight364.37 g/mol
Exact Mass364.16
IUPAC Name1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene
SMILESFCc1c(F)cc(C2CCC(CC/C=C/CC(F)(F)F)CC2)cc1F
InChIInChI=1S/C19H22F6/c20-12-16-17(21)10-15(11-18(16)22)14-7-5-13(6-8-14)4-2-1-3-9-19(23,24)25/h1,3,10-11,13-14H,2,4-9,12H2/b3-1+
InChIKeyBHDXOESWVMRRRS-HNQUOIGGSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 57.00
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

1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
5-[4-[(E)-4-chlorobut-3-enyl]cyclohexyl]-1,3-difluoro-2-pentylbenzene
CID 18656459
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
1,3-difluoro-5-[4-(4-hept-3-enylcyclohexyl)cyclohexyl]-2-(trifluoromethoxy)benzene
CID 54258081
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20654096
1,2,3-trifluoro-5-[4-(4-hexa-3,5-dienylcyclohexyl)cyclohexyl]benzene
CID 54186693
5-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]-1,3-difluoro-2-(2,2,2-trifluoroethyl)benzene
CID 162555954
5-[4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 139629305
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
CID 54282576
5-[4-[(E)-4-(4-butylcyclohexyl)but-1-enyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 139629279

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene?
The IUPAC name of 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene (CID 19695580) is 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene?
The canonical SMILES for 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene is FCc1c(F)cc(C2CCC(CC/C=C/CC(F)(F)F)CC2)cc1F.
What is the InChIKey of 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene?
The InChIKey is BHDXOESWVMRRRS-HNQUOIGGSA-N. The full InChI is InChI=1S/C19H22F6/c20-12-16-17(21)10-15(11-18(16)22)14-7-5-13(6-8-14)4-2-1-3-9-19(23,24)25/h1,3,10-11,13-14H,2,4-9,12H2/b3-1+.
What are the key properties of 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene?
1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene has a molecular weight of 364.37 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(fluoromethyl)-5-[4-[(E)-6,6,6-trifluorohex-3-enyl]cyclohexyl]benzene is sourced from PubChem (CID 19695580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).