2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene

C23H33F3 — CID 142671416

IUPAC2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene
SMILES[2H]C([2H])([2H])C([2H])(F)c1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H33F3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-14-13-20(15(2)24)22(25)23(21)26/h13-19H,3-12H2,1-2H3/i2D3,15D
InChIKeyRVLATPMIALGIEC-IPESJCBVSA-N
MW370.54 g/mol
LogP7.88
Rot. Bonds6

About 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene

2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene (PubChem CID 142671416) has the molecular formula C23H33F3 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene
PubChem CID142671416
Molecular FormulaC23H33F3
Molecular Weight370.54 g/mol
Exact Mass370.28
IUPAC Name2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene
SMILES[2H]C([2H])([2H])C([2H])(F)c1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H33F3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-14-13-20(15(2)24)22(25)23(21)26/h13-19H,3-12H2,1-2H3/i2D3,15D
InChIKeyRVLATPMIALGIEC-IPESJCBVSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
2,3-difluoro-1-(1,1,2,2,2-pentadeuterioethoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 142671423
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
1-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331721
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2-[3-chloro-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]oxirane
CID 89021617
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
2,3-difluoro-1-[(Z)-prop-1-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358464
1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one
CID 58942520
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene?
The IUPAC name of 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene (CID 142671416) is 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene?
The canonical SMILES for 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene is [2H]C([2H])([2H])C([2H])(F)c1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene?
The InChIKey is RVLATPMIALGIEC-IPESJCBVSA-N. The full InChI is InChI=1S/C23H33F3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-14-13-20(15(2)24)22(25)23(21)26/h13-19H,3-12H2,1-2H3/i2D3,15D.
What are the key properties of 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene?
2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene has a molecular weight of 370.54 g/mol, XLogP of 7.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene is sourced from PubChem (CID 142671416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).