1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene

C16H15ClF2 — CID 142366544

IUPAC1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene
SMILESCc1cc(F)cc(-c2cc(Cl)c(F)c(C(C)C)c2)c1
InChIInChI=1S/C16H15ClF2/c1-9(2)14-7-12(8-15(17)16(14)19)11-4-10(3)5-13(18)6-11/h4-9H,1-3H3
InChIKeyDXMVGCSYPCFEDV-UHFFFAOYSA-N
MW280.75 g/mol
LogP5.72
Rot. Bonds2

About 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene

1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene (PubChem CID 142366544) has the molecular formula C16H15ClF2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene
PubChem CID142366544
Molecular FormulaC16H15ClF2
Molecular Weight280.75 g/mol
Exact Mass280.08
IUPAC Name1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene
SMILESCc1cc(F)cc(-c2cc(Cl)c(F)c(C(C)C)c2)c1
InChIInChI=1S/C16H15ClF2/c1-9(2)14-7-12(8-15(17)16(14)19)11-4-10(3)5-13(18)6-11/h4-9H,1-3H3
InChIKeyDXMVGCSYPCFEDV-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.75
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol
CID 117291228
2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene
CID 170246262
1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
CID 79689806
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
3-(3-fluoro-5-hydroxyphenyl)-5-methylphenol
CID 53218862
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
2-(3-chloro-2,5-difluorophenyl)propan-1-ol
CID 117295350
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene (CID 142366544) is 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene is Cc1cc(F)cc(-c2cc(Cl)c(F)c(C(C)C)c2)c1.
What is the InChIKey of 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene?
The InChIKey is DXMVGCSYPCFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2/c1-9(2)14-7-12(8-15(17)16(14)19)11-4-10(3)5-13(18)6-11/h4-9H,1-3H3.
What are the key properties of 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene?
1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene has a molecular weight of 280.75 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene is sourced from PubChem (CID 142366544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).