1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene

C19H19F3 — CID 18720860

IUPAC1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2cc(F)c(-c3cccc(F)c3)c(F)c2)CC1
InChIInChI=1S/C19H19F3/c1-12-5-7-13(8-6-12)15-10-17(21)19(18(22)11-15)14-3-2-4-16(20)9-14/h2-4,9-13H,5-8H2,1H3
InChIKeyIPCYRMTWBYUKBN-UHFFFAOYSA-N
MW304.36 g/mol
LogP6.06
Rot. Bonds2

About 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene

1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene (PubChem CID 18720860) has the molecular formula C19H19F3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
PubChem CID18720860
Molecular FormulaC19H19F3
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2cc(F)c(-c3cccc(F)c3)c(F)c2)CC1
InChIInChI=1S/C19H19F3/c1-12-5-7-13(8-6-12)15-10-17(21)19(18(22)11-15)14-3-2-4-16(20)9-14/h2-4,9-13H,5-8H2,1H3
InChIKeyIPCYRMTWBYUKBN-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.36
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene
CID 18720868
(2R,4aR,8aR)-2-[3,5-difluoro-4-(3-fluorophenyl)phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808942
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 59931299
2-[4-(3,5-difluorophenyl)-3,5-difluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382914
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 122472506
(2R,4aR,8aR)-2-[4-(4-ethylphenyl)-3,5-difluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808978
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]cyclohexane-1-thiol
CID 130256822

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene (CID 18720860) is 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene is CC1CCC(c2cc(F)c(-c3cccc(F)c3)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene?
The InChIKey is IPCYRMTWBYUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3/c1-12-5-7-13(8-6-12)15-10-17(21)19(18(22)11-15)14-3-2-4-16(20)9-14/h2-4,9-13H,5-8H2,1H3.
What are the key properties of 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene?
1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene has a molecular weight of 304.36 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 18720860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).