3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan

C18H12F4O — CID 102053804

IUPAC3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan
SMILESCc1ccc(-c2cc(F)c(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H12F4O/c1-11-2-4-12(5-3-11)16-10-15(19)17(23-16)13-6-8-14(9-7-13)18(20,21)22/h2-10H,1H3
InChIKeyCFEMPIOWEYKVIQ-UHFFFAOYSA-N
MW320.29 g/mol
LogP6.08
Rot. Bonds2

About 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan

3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan (PubChem CID 102053804) has the molecular formula C18H12F4O and a molecular weight of 320.29 g/mol. Its IUPAC name is 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan
PubChem CID102053804
Molecular FormulaC18H12F4O
Molecular Weight320.29 g/mol
Exact Mass320.08
IUPAC Name3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan
SMILESCc1ccc(-c2cc(F)c(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H12F4O/c1-11-2-4-12(5-3-11)16-10-15(19)17(23-16)13-6-8-14(9-7-13)18(20,21)22/h2-10H,1H3
InChIKeyCFEMPIOWEYKVIQ-UHFFFAOYSA-N
XLogP6.08
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.29
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 139258305
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
CID 23074381
2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan
CID 70888488
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 118119510
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan?
The IUPAC name of 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan (CID 102053804) is 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan is Cc1ccc(-c2cc(F)c(-c3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan?
The InChIKey is CFEMPIOWEYKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4O/c1-11-2-4-12(5-3-11)16-10-15(19)17(23-16)13-6-8-14(9-7-13)18(20,21)22/h2-10H,1H3.
What are the key properties of 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan?
3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan has a molecular weight of 320.29 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 102053804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).