2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid

C12H13FO2 — CID 84722633

IUPAC2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CC2(F)CC2)c1
InChIInChI=1S/C12H13FO2/c13-12(4-5-12)8-10-3-1-2-9(6-10)7-11(14)15/h1-3,6H,4-5,7-8H2,(H,14,15)
InChIKeyAADQPIUSNPHQDM-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.36
Rot. Bonds4

About 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid

2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid (PubChem CID 84722633) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
PubChem CID84722633
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CC2(F)CC2)c1
InChIInChI=1S/C12H13FO2/c13-12(4-5-12)8-10-3-1-2-9(6-10)7-11(14)15/h1-3,6H,4-5,7-8H2,(H,14,15)
InChIKeyAADQPIUSNPHQDM-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[(1-fluorocyclobutyl)methyl]phenyl]acetic acid
CID 84725013
3-[3-[(1-fluorocyclopropyl)methyl]phenyl]propanoic acid
CID 84725018
2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
CID 117111535
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]acetic acid
CID 117111536
1,1-difluorocyclopropane;2-phenylacetic acid
CID 165403189
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
2-(3-benzylphenyl)acetic acid
CID 22590987
3-[(1-fluorocyclobutyl)methyl]phenol
CID 84718365
[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438
3-[4-[(1-fluorocyclopropyl)methyl]phenyl]propanoic acid
CID 84725016
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
2-[3-(2-aminoethyl)phenyl]acetic acid
CID 18403500

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid (CID 84722633) is 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid is O=C(O)Cc1cccc(CC2(F)CC2)c1.
What is the InChIKey of 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid?
The InChIKey is AADQPIUSNPHQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-12(4-5-12)8-10-3-1-2-9(6-10)7-11(14)15/h1-3,6H,4-5,7-8H2,(H,14,15).
What are the key properties of 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid?
2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid has a molecular weight of 208.23 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid is sourced from PubChem (CID 84722633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).