1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene

C12H14Cl2F2 — CID 123835393

IUPAC1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene
SMILESCCc1c(Cl)cc(C(F)(F)C(C)C)cc1Cl
InChIInChI=1S/C12H14Cl2F2/c1-4-9-10(13)5-8(6-11(9)14)12(15,16)7(2)3/h5-7H,4H2,1-3H3
InChIKeyCNUXBIJPYUYZJK-UHFFFAOYSA-N
MW267.15 g/mol
LogP5.30
Rot. Bonds3

About 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene

1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene (PubChem CID 123835393) has the molecular formula C12H14Cl2F2 and a molecular weight of 267.15 g/mol. Its IUPAC name is 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene
PubChem CID123835393
Molecular FormulaC12H14Cl2F2
Molecular Weight267.15 g/mol
Exact Mass266.04
IUPAC Name1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene
SMILESCCc1c(Cl)cc(C(F)(F)C(C)C)cc1Cl
InChIInChI=1S/C12H14Cl2F2/c1-4-9-10(13)5-8(6-11(9)14)12(15,16)7(2)3/h5-7H,4H2,1-3H3
InChIKeyCNUXBIJPYUYZJK-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.15
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene
CID 178026499
1-(1,1-difluoro-2-methylpropyl)-4-ethylsulfanylbenzene
CID 116841447
1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene
CID 143567978
1,3-dichloro-2-(3,5-diiodo-4-methylpentyl)-5-(trifluoromethyl)benzene
CID 174285849
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
CID 117327994
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]butan-1-ol
CID 116992734
1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
CID 163849495
4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene
CID 154677457
3-chloro-4-ethyl-5-fluorobenzoic acid
CID 90066927
N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide
CID 159253180

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene?
The IUPAC name of 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene (CID 123835393) is 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene.
What is the SMILES notation for 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene?
The canonical SMILES for 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene is CCc1c(Cl)cc(C(F)(F)C(C)C)cc1Cl.
What is the InChIKey of 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene?
The InChIKey is CNUXBIJPYUYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F2/c1-4-9-10(13)5-8(6-11(9)14)12(15,16)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene?
1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene has a molecular weight of 267.15 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene is sourced from PubChem (CID 123835393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).