1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene

C14H7F7 — CID 134628457

IUPAC1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
SMILESCc1c(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H7F7/c1-6-10(15)12(17)9(13(18)11(6)16)7-2-4-8(5-3-7)14(19,20)21/h2-5H,1H3
InChIKeyRIERESRTWNTRSO-UHFFFAOYSA-N
MW308.20 g/mol
LogP5.24
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene

1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 134628457) has the molecular formula C14H7F7 and a molecular weight of 308.20 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
PubChem CID134628457
Molecular FormulaC14H7F7
Molecular Weight308.20 g/mol
Exact Mass308.04
IUPAC Name1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
SMILESCc1c(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H7F7/c1-6-10(15)12(17)9(13(18)11(6)16)7-2-4-8(5-3-7)14(19,20)21/h2-5H,1H3
InChIKeyRIERESRTWNTRSO-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11437757
ethane;tris[2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]phenyl]borane
CID 143543148
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1,2,4-trifluoro-5-methyl-3,6-bis(4-methylphenyl)benzene
CID 144582463
3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 171906268
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
trimethyl-[4-[2,4,6-tris[4-(trifluoromethyl)phenyl]-3,5-bis(4-trimethylsilylphenyl)phenyl]phenyl]silane
CID 102366685
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 118595772
1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762
1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 134623637
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene (CID 134628457) is 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene is Cc1c(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is RIERESRTWNTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7/c1-6-10(15)12(17)9(13(18)11(6)16)7-2-4-8(5-3-7)14(19,20)21/h2-5H,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene?
1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 308.20 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134628457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).