1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene

C19H17F5O — CID 18344091

IUPAC1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene
SMILESFc1cc(-c2ccc(C3CCC(F)CC3)cc2F)ccc1OC(F)F
InChIInChI=1S/C19H17F5O/c20-14-5-1-11(2-6-14)12-3-7-15(16(21)9-12)13-4-8-18(17(22)10-13)25-19(23)24/h3-4,7-11,14,19H,1-2,5-6H2
InChIKeyIDWADXSODNMIEN-UHFFFAOYSA-N
MW356.33 g/mol
LogP6.23
Rot. Bonds4

About 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene

1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene (PubChem CID 18344091) has the molecular formula C19H17F5O and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene
PubChem CID18344091
Molecular FormulaC19H17F5O
Molecular Weight356.33 g/mol
Exact Mass356.12
IUPAC Name1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene
SMILESFc1cc(-c2ccc(C3CCC(F)CC3)cc2F)ccc1OC(F)F
InChIInChI=1S/C19H17F5O/c20-14-5-1-11(2-6-14)12-3-7-15(16(21)9-12)13-4-8-18(17(22)10-13)25-19(23)24/h3-4,7-11,14,19H,1-2,5-6H2
InChIKeyIDWADXSODNMIEN-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.33
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809434
4-cyclobutyl-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 162562342
2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
CID 18344234
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane
CID 155573184
1-(difluoromethoxy)-2-fluoro-4-(4-fluorocyclohexyl)benzene;1-(2-fluoroethyl)-4-pentoxycyclohexane
CID 159053657
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
(2R,4aR,8aR)-2-[4-[4-(difluoromethoxy)-3-fluorophenyl]-3,5-difluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808922
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene (CID 18344091) is 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene is Fc1cc(-c2ccc(C3CCC(F)CC3)cc2F)ccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene?
The InChIKey is IDWADXSODNMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5O/c20-14-5-1-11(2-6-14)12-3-7-15(16(21)9-12)13-4-8-18(17(22)10-13)25-19(23)24/h3-4,7-11,14,19H,1-2,5-6H2.
What are the key properties of 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene?
1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene has a molecular weight of 356.33 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene is sourced from PubChem (CID 18344091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).