1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene

C14H9Cl3F2O — CID 118831917

IUPAC1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene
SMILESCOc1ccc(C(F)F)c(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H9Cl3F2O/c1-20-8-2-3-9(14(18)19)10(6-8)13-11(16)4-7(15)5-12(13)17/h2-6,14H,1H3
InChIKeyMNEXVWQOESGVKN-UHFFFAOYSA-N
MW337.58 g/mol
LogP6.26
Rot. Bonds3

About 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene

1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene (PubChem CID 118831917) has the molecular formula C14H9Cl3F2O and a molecular weight of 337.58 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene
PubChem CID118831917
Molecular FormulaC14H9Cl3F2O
Molecular Weight337.58 g/mol
Exact Mass335.97
IUPAC Name1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene
SMILESCOc1ccc(C(F)F)c(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H9Cl3F2O/c1-20-8-2-3-9(14(18)19)10(6-8)13-11(16)4-7(15)5-12(13)17/h2-6,14H,1H3
InChIKeyMNEXVWQOESGVKN-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
1,2,3,4,5-pentachloro-6-[2-(difluoromethyl)-4-methoxyphenyl]benzene
CID 134617265
1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
CID 103514539
1,3,5-trichloro-2-[2-chloro-4-(difluoromethoxy)phenyl]benzene
CID 134627689
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene?
The IUPAC name of 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene (CID 118831917) is 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene is COc1ccc(C(F)F)c(-c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene?
The InChIKey is MNEXVWQOESGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2O/c1-20-8-2-3-9(14(18)19)10(6-8)13-11(16)4-7(15)5-12(13)17/h2-6,14H,1H3.
What are the key properties of 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene?
1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene has a molecular weight of 337.58 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene is sourced from PubChem (CID 118831917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).