1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene

C10H9Cl2F3 — CID 155380246

IUPAC1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1cc(Cl)c(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9Cl2F3/c1-5(2)6-3-7(11)9(8(12)4-6)10(13,14)15/h3-5H,1-2H3
InChIKeyNVUSAKQTJLZJRR-UHFFFAOYSA-N
MW257.08 g/mol
LogP5.14
Rot. Bonds1

About 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene

1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 155380246) has the molecular formula C10H9Cl2F3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID155380246
Molecular FormulaC10H9Cl2F3
Molecular Weight257.08 g/mol
Exact Mass256.00
IUPAC Name1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1cc(Cl)c(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9Cl2F3/c1-5(2)6-3-7(11)9(8(12)4-6)10(13,14)15/h3-5H,1-2H3
InChIKeyNVUSAKQTJLZJRR-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.08
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
2-tert-butyl-1-chloro-3-methyl-5-propan-2-ylbenzene
CID 139403950
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
1,3-dichloro-2-[2-(3,4-difluorophenyl)propan-2-yl]-5-propan-2-ylbenzene
CID 126702990
2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
CID 88933481
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 164997099
1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
CID 171009081
2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 155459844
[3,5-dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 154931725
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
2-bromo-6-chloro-4-propan-2-ylaniline
CID 164890757
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene (CID 155380246) is 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1cc(Cl)c(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is NVUSAKQTJLZJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3/c1-5(2)6-3-7(11)9(8(12)4-6)10(13,14)15/h3-5H,1-2H3.
What are the key properties of 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene?
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 257.08 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 155380246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).