1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene

C8H3ClF6O — CID 171003163

IUPAC1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(C(F)(F)F)c(OC(F)F)c1
InChIInChI=1S/C8H3ClF6O/c9-4-1-3(10)2-5(16-7(11)12)6(4)8(13,14)15/h1-2,7H
InChIKeyROHIZSWZWUWKIT-UHFFFAOYSA-N
MW264.55 g/mol
LogP4.10
Rot. Bonds2

About 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene

1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene (PubChem CID 171003163) has the molecular formula C8H3ClF6O and a molecular weight of 264.55 g/mol. Its IUPAC name is 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
PubChem CID171003163
Molecular FormulaC8H3ClF6O
Molecular Weight264.55 g/mol
Exact Mass263.98
IUPAC Name1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(C(F)(F)F)c(OC(F)F)c1
InChIInChI=1S/C8H3ClF6O/c9-4-1-3(10)2-5(16-7(11)12)6(4)8(13,14)15/h1-2,7H
InChIKeyROHIZSWZWUWKIT-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031801
1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
CID 171009081
5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene
CID 171004930
1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 171004612
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate
CID 171004532
1-chloro-4-(difluoromethoxy)-2-nitro-3-(trifluoromethyl)benzene
CID 171007606
2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
CID 119008887
3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
CID 171002242
1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
CID 171004207
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638325

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene (CID 171003163) is 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene is Fc1cc(Cl)c(C(F)(F)F)c(OC(F)F)c1.
What is the InChIKey of 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is ROHIZSWZWUWKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6O/c9-4-1-3(10)2-5(16-7(11)12)6(4)8(13,14)15/h1-2,7H.
What are the key properties of 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene?
1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 264.55 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171003163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).