2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene

C19H26F2 — CID 90710023

IUPAC2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene
SMILESCCCC1CC(c2ccc(C(C)C)c(F)c2F)=CCC1C
InChIInChI=1S/C19H26F2/c1-5-6-14-11-15(8-7-13(14)4)17-10-9-16(12(2)3)18(20)19(17)21/h8-10,12-14H,5-7,11H2,1-4H3
InChIKeyPQYBKPAOVLQRGT-UHFFFAOYSA-N
MW292.41 g/mol
LogP6.32
Rot. Bonds4

About 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene

2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene (PubChem CID 90710023) has the molecular formula C19H26F2 and a molecular weight of 292.41 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene
PubChem CID90710023
Molecular FormulaC19H26F2
Molecular Weight292.41 g/mol
Exact Mass292.20
IUPAC Name2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene
SMILESCCCC1CC(c2ccc(C(C)C)c(F)c2F)=CCC1C
InChIInChI=1S/C19H26F2/c1-5-6-14-11-15(8-7-13(14)4)17-10-9-16(12(2)3)18(20)19(17)21/h8-10,12-14H,5-7,11H2,1-4H3
InChIKeyPQYBKPAOVLQRGT-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
CID 91116648
1-[4-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]ethanol
CID 88857230
(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene
CID 174306687
2,3-difluoro-1-[4-[(1S)-1-iodoethyl]phenyl]-4-propan-2-ylbenzene
CID 149496310
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
CID 59257313
[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane
CID 166903499
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782
2,3-difluoro-4-propan-2-ylbenzonitrile;propane
CID 156647917
1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]propan-1-ol
CID 88857225
1-[4-[4-[2-[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]-2,3-difluorophenyl]cyclohexyl]ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]butan-1-ol
CID 88893864

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene?
The IUPAC name of 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene (CID 90710023) is 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene.
What is the SMILES notation for 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene?
The canonical SMILES for 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene is CCCC1CC(c2ccc(C(C)C)c(F)c2F)=CCC1C.
What is the InChIKey of 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene?
The InChIKey is PQYBKPAOVLQRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2/c1-5-6-14-11-15(8-7-13(14)4)17-10-9-16(12(2)3)18(20)19(17)21/h8-10,12-14H,5-7,11H2,1-4H3.
What are the key properties of 2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene?
2,3-difluoro-1-(4-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene has a molecular weight of 292.41 g/mol, XLogP of 6.32, 4 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-methyl-5-propylcyclohexen-1-yl)-4-propan-2-ylbenzene is sourced from PubChem (CID 90710023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).