2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene

C9H7F5O2 — CID 46311605

IUPAC2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)c(OC(F)F)c1
InChIInChI=1S/C9H7F5O2/c1-15-5-2-3-6(9(12,13)14)7(4-5)16-8(10)11/h2-4,8H,1H3
InChIKeyKNMSJTWKDVCXGK-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.32
Rot. Bonds3

About 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene

2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene (PubChem CID 46311605) has the molecular formula C9H7F5O2 and a molecular weight of 242.14 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
PubChem CID46311605
Molecular FormulaC9H7F5O2
Molecular Weight242.14 g/mol
Exact Mass242.04
IUPAC Name2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)c(OC(F)F)c1
InChIInChI=1S/C9H7F5O2/c1-15-5-2-3-6(9(12,13)14)7(4-5)16-8(10)11/h2-4,8H,1H3
InChIKeyKNMSJTWKDVCXGK-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
CID 142685473
2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene
CID 91876148
dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane
CID 23135573
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
1-bromo-1-[3-(difluoromethoxy)-4-(trifluoromethyl)phenyl]propan-2-one
CID 134615833
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine
CID 165352768

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene?
The IUPAC name of 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene (CID 46311605) is 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene is COc1ccc(C(F)(F)F)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene?
The InChIKey is KNMSJTWKDVCXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O2/c1-15-5-2-3-6(9(12,13)14)7(4-5)16-8(10)11/h2-4,8H,1H3.
What are the key properties of 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene?
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene has a molecular weight of 242.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene is sourced from PubChem (CID 46311605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).