2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid

C14H15F2NO4 — CID 119184539

IUPAC2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N(CC(F)F)C2CC2)c1
InChIInChI=1S/C14H15F2NO4/c15-12(16)7-17(10-4-5-10)14(20)9-2-1-3-11(6-9)21-8-13(18)19/h1-3,6,10,12H,4-5,7-8H2,(H,18,19)
InChIKeyASFMGLJTSXJEGL-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.02
Rot. Bonds7

About 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid

2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119184539) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid
PubChem CID119184539
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N(CC(F)F)C2CC2)c1
InChIInChI=1S/C14H15F2NO4/c15-12(16)7-17(10-4-5-10)14(20)9-2-1-3-11(6-9)21-8-13(18)19/h1-3,6,10,12H,4-5,7-8H2,(H,18,19)
InChIKeyASFMGLJTSXJEGL-UHFFFAOYSA-N
XLogP2.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid
CID 119183937
2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid
CID 154741966
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
2-[cyclopropyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]acetic acid
CID 119195282
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659
methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate
CID 55873499
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
2-[3-(2,2-difluoroethylsulfonylcarbamoyl)phenoxy]acetic acid
CID 138037993
2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119202865

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid (CID 119184539) is 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N(CC(F)F)C2CC2)c1.
What is the InChIKey of 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is ASFMGLJTSXJEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-12(16)7-17(10-4-5-10)14(20)9-2-1-3-11(6-9)21-8-13(18)19/h1-3,6,10,12H,4-5,7-8H2,(H,18,19).
What are the key properties of 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid?
2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 299.27 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119184539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).