1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene

C22H24F4O — CID 143115064

IUPAC1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
SMILESCCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(C(F)(F)F)c1F
InChIInChI=1S/C22H24F4O/c1-3-27-19-13-12-18(20(21(19)23)22(24,25)26)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h8-15H,3-7H2,1-2H3
InChIKeyJPSRFOIIQLITLZ-UHFFFAOYSA-N
MW380.43 g/mol
LogP7.20
Rot. Bonds4

About 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene

1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene (PubChem CID 143115064) has the molecular formula C22H24F4O and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
PubChem CID143115064
Molecular FormulaC22H24F4O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
SMILESCCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(C(F)(F)F)c1F
InChIInChI=1S/C22H24F4O/c1-3-27-19-13-12-18(20(21(19)23)22(24,25)26)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h8-15H,3-7H2,1-2H3
InChIKeyJPSRFOIIQLITLZ-UHFFFAOYSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]-2,3-bis(trifluoromethyl)benzene
CID 154519551
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381
1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone
CID 118287217
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 155471466
3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23159713
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 143772822
CID 67612605
CID 67612605
1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
CID 58555645

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene (CID 143115064) is 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene is CCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(C(F)(F)F)c1F.
What is the InChIKey of 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene?
The InChIKey is JPSRFOIIQLITLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4O/c1-3-27-19-13-12-18(20(21(19)23)22(24,25)26)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h8-15H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene?
1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene has a molecular weight of 380.43 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 143115064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).