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

C14H9Cl2F3 — CID 118815271

IUPAC1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2F3/c1-8-7-9(14(17,18)19)5-6-10(8)11-3-2-4-12(15)13(11)16/h2-7H,1H3
InChIKeyPRNRQWCGKVRSCJ-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.99
Rot. Bonds1

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

1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene (PubChem CID 118815271) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
PubChem CID118815271
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2F3/c1-8-7-9(14(17,18)19)5-6-10(8)11-3-2-4-12(15)13(11)16/h2-7H,1H3
InChIKeyPRNRQWCGKVRSCJ-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

1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 134620909
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
CID 81448115
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine
CID 66479018
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
2-(2-methylphenyl)-5-(trifluoromethyl)aniline
CID 114043492
3-(2,3-dichlorophenyl)-4-methylthiophene
CID 130088701
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
3-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66479323
3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 699185
4-chloro-2-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755539

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene (CID 118815271) is 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene is Cc1cc(C(F)(F)F)ccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
The InChIKey is PRNRQWCGKVRSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c1-8-7-9(14(17,18)19)5-6-10(8)11-3-2-4-12(15)13(11)16/h2-7H,1H3.
What are the key properties of 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
1,2-dichloro-3-[2-methyl-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 1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118815271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).