2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid

C12H14F2O3 — CID 143921045

IUPAC2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C(C)(F)F)cc1)C(=O)O
InChIInChI=1S/C12H14F2O3/c1-11(2,10(15)16)17-9-6-4-8(5-7-9)12(3,13)14/h4-7H,1-3H3,(H,15,16)
InChIKeyKDLGHJBVHPBPSL-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid

2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid (PubChem CID 143921045) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
PubChem CID143921045
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C(C)(F)F)cc1)C(=O)O
InChIInChI=1S/C12H14F2O3/c1-11(2,10(15)16)17-9-6-4-8(5-7-9)12(3,13)14/h4-7H,1-3H3,(H,15,16)
InChIKeyKDLGHJBVHPBPSL-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
CID 131878857
CID 131878857
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
CID 117051509
2-[4-[(4-chlorophenyl)-difluoromethyl]phenoxy]-2-methylpropanoic acid;2-(dimethylamino)ethanol
CID 71494567
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid
CID 20994189
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503
2-[4-[(4-chlorophenyl)-difluoromethyl]phenoxy]-2-methylpropanoic acid;2-(diethylamino)ethanol
CID 71494433
2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
CID 118097919
2-[4-[(1R,2R)-2-chlorocyclopropyl]phenoxy]-2-methylpropanoic acid
CID 90662262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid (CID 143921045) is 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(C(C)(F)F)cc1)C(=O)O.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid?
The InChIKey is KDLGHJBVHPBPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-11(2,10(15)16)17-9-6-4-8(5-7-9)12(3,13)14/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid?
2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid has a molecular weight of 244.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 143921045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).