2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene

C14H13ClF2 — CID 143200692

IUPAC2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
SMILESCc1ccc(F)c(Cl)c1.Cc1cccc(F)c1
InChIInChI=1S/C7H6ClF.C7H7F/c1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7(8)5-6/h2-4H,1H3;2-5H,1H3
InChIKeyPNTIQKCTUFAJTQ-UHFFFAOYSA-N
MW254.71 g/mol
LogP4.92
Rot. Bonds

About 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene

2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene (PubChem CID 143200692) has the molecular formula C14H13ClF2 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
PubChem CID143200692
Molecular FormulaC14H13ClF2
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
SMILESCc1ccc(F)c(Cl)c1.Cc1cccc(F)c1
InChIInChI=1S/C7H6ClF.C7H7F/c1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7(8)5-6/h2-4H,1H3;2-5H,1H3
InChIKeyPNTIQKCTUFAJTQ-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
CID 144581730
ethane;1-fluoro-3-methylbenzene
CID 123790085
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
CID 143240223
ethane;1-fluoro-3-methylbenzene;tetrachloromethane
CID 91543294
butan-2-one;2-chloro-1-fluoro-4-methylbenzene
CID 144845866
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
1-chloro-3-fluorobenzene;ethane
CID 142804083
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene (CID 143200692) is 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene is Cc1ccc(F)c(Cl)c1.Cc1cccc(F)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene?
The InChIKey is PNTIQKCTUFAJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF.C7H7F/c1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7(8)5-6/h2-4H,1H3;2-5H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene?
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene has a molecular weight of 254.71 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene is sourced from PubChem (CID 143200692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).