1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene

C9H6ClF5O — CID 171004612

IUPAC1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)c(OC(F)F)cc1Cl
InChIInChI=1S/C9H6ClF5O/c1-4-2-5(9(13,14)15)7(3-6(4)10)16-8(11)12/h2-3,8H,1H3
InChIKeyBGVAPJIAIQOSNH-UHFFFAOYSA-N
MW260.59 g/mol
LogP4.27
Rot. Bonds2

About 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene

1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene (PubChem CID 171004612) has the molecular formula C9H6ClF5O and a molecular weight of 260.59 g/mol. Its IUPAC name is 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
PubChem CID171004612
Molecular FormulaC9H6ClF5O
Molecular Weight260.59 g/mol
Exact Mass260.00
IUPAC Name1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)c(OC(F)F)cc1Cl
InChIInChI=1S/C9H6ClF5O/c1-4-2-5(9(13,14)15)7(3-6(4)10)16-8(11)12/h2-3,8H,1H3
InChIKeyBGVAPJIAIQOSNH-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300
[2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol
CID 164895571
1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
CID 171003163
4-(difluoromethoxy)-5-(trifluoromethyl)phthalaldehyde
CID 171026121
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene
CID 171004930
1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene
CID 130785589
[2-[[5-chloro-4-methyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl] methyl carbonate
CID 122645645
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene (CID 171004612) is 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene is Cc1cc(C(F)(F)F)c(OC(F)F)cc1Cl.
What is the InChIKey of 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene?
The InChIKey is BGVAPJIAIQOSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5O/c1-4-2-5(9(13,14)15)7(3-6(4)10)16-8(11)12/h2-3,8H,1H3.
What are the key properties of 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene?
1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene has a molecular weight of 260.59 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 171004612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).