2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene

C14H9Cl2F3 — CID 171367983

IUPAC2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1Cl
InChIInChI=1S/C14H9Cl2F3/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(6-4-9)14(17,18)19/h2-7H,1H3
InChIKeyLHMRKQZQSGPRJU-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.99
Rot. Bonds1

About 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene

2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 171367983) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID171367983
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1Cl
InChIInChI=1S/C14H9Cl2F3/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(6-4-9)14(17,18)19/h2-7H,1H3
InChIKeyLHMRKQZQSGPRJU-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.13
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 143286590
2-chloro-1,3-difluoro-4-[4-(trifluoromethyl)phenyl]benzene
CID 134625909
1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 134620909
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091914
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene (CID 171367983) is 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene is Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is LHMRKQZQSGPRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(6-4-9)14(17,18)19/h2-7H,1H3.
What are the key properties of 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 305.13 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 171367983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).