1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene

C22H26F2 — CID 91076031

IUPAC1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
SMILESCCc1ccc(Cc2ccc(C3CCC(C)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H26F2/c1-3-17-12-13-20(22(24)21(17)23)14-16-6-10-19(11-7-16)18-8-4-15(2)5-9-18/h6-7,10-13,15,18H,3-5,8-9,14H2,1-2H3
InChIKeyLXVJKUYKQRWVPX-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.41
Rot. Bonds4

About 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene

1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene (PubChem CID 91076031) has the molecular formula C22H26F2 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
PubChem CID91076031
Molecular FormulaC22H26F2
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
SMILESCCc1ccc(Cc2ccc(C3CCC(C)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H26F2/c1-3-17-12-13-20(22(24)21(17)23)14-16-6-10-19(11-7-16)18-8-4-15(2)5-9-18/h6-7,10-13,15,18H,3-5,8-9,14H2,1-2H3
InChIKeyLXVJKUYKQRWVPX-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
CID 118858786
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene
CID 141494647
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139861214
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran
CID 90863117

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene (CID 91076031) is 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene is CCc1ccc(Cc2ccc(C3CCC(C)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene?
The InChIKey is LXVJKUYKQRWVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2/c1-3-17-12-13-20(22(24)21(17)23)14-16-6-10-19(11-7-16)18-8-4-15(2)5-9-18/h6-7,10-13,15,18H,3-5,8-9,14H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene?
1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene has a molecular weight of 328.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene is sourced from PubChem (CID 91076031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).