2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid

C10H7F5O3 — CID 170998831

IUPAC2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c11-9(12)6-2-1-5(4-8(16)17)3-7(6)18-10(13,14)15/h1-3,9H,4H2,(H,16,17)
InChIKeyBTIFHCXMEDOKAN-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.15
Rot. Bonds4

About 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid

2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 170998831) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid
PubChem CID170998831
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Name2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c11-9(12)6-2-1-5(4-8(16)17)3-7(6)18-10(13,14)15/h1-3,9H,4H2,(H,16,17)
InChIKeyBTIFHCXMEDOKAN-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998285
2-[4-fluoro-3-(trifluoromethoxy)phenyl]acetic acid;methyl 2-[4-fluoro-3-(trifluoromethoxy)phenyl]acetate
CID 158311661
2-bromo-1-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619233
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
CID 69474334
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
2-[6-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670662
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid (CID 170998831) is 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(C(F)F)c(OC(F)(F)F)c1.
What is the InChIKey of 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is BTIFHCXMEDOKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c11-9(12)6-2-1-5(4-8(16)17)3-7(6)18-10(13,14)15/h1-3,9H,4H2,(H,16,17).
What are the key properties of 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid?
2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 270.15 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 170998831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).