2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

C11H10F2O3 — CID 43810313

IUPAC2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C11H10F2O3/c12-11(13)16-9-4-2-1-3-6(9)7-5-8(7)10(14)15/h1-4,7-8,11H,5H2,(H,14,15)
InChIKeyVEQHUVWIKWWTFY-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 43810313) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
PubChem CID43810313
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C11H10F2O3/c12-11(13)16-9-4-2-1-3-6(9)7-5-8(7)10(14)15/h1-4,7-8,11H,5H2,(H,14,15)
InChIKeyVEQHUVWIKWWTFY-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Methoxyphenyl)acetic acid
CID 15719
2,5-Dimethoxyphenylacetic acid
CID 74469
1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid
CID 85575
p-Methoxyphenylpropionic acid
CID 257576
Benzenepropanoic acid, 2,5-dimethoxy-
CID 66343
2-(4-Methoxyphenyl)butanoic acid
CID 34657
Acetic acid, 5-methoxy-m-tolyl-
CID 39879
3-(o-Methoxyphenyl)propionic acid
CID 80652
Methyl 3-(2-methoxyphenyl)propanoate
CID 562482
2-(9H-xanthen-9-yl)acetic acid
CID 834662
2-[3-(Cyclopropylmethoxy)-4-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 58150549
3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
CID 3468322

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid (CID 43810313) is 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is VEQHUVWIKWWTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-11(13)16-9-4-2-1-3-6(9)7-5-8(7)10(14)15/h1-4,7-8,11H,5H2,(H,14,15).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 228.19 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 43810313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).