2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid

C15H19FO3 — CID 79417997

IUPAC2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)CC1CCCCO1
InChIInChI=1S/C15H19FO3/c16-14-7-2-1-5-11(14)9-12(15(17)18)10-13-6-3-4-8-19-13/h1-2,5,7,12-13H,3-4,6,8-10H2,(H,17,18)
InChIKeyNIYVVGZZGJHKQF-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.03
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid

2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid (PubChem CID 79417997) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
PubChem CID79417997
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)CC1CCCCO1
InChIInChI=1S/C15H19FO3/c16-14-7-2-1-5-11(14)9-12(15(17)18)10-13-6-3-4-8-19-13/h1-2,5,7,12-13H,3-4,6,8-10H2,(H,17,18)
InChIKeyNIYVVGZZGJHKQF-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
4-oxo-2-(oxolan-2-ylmethyl)-4-phenylbutanoic acid
CID 10308140
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 170452725
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid (CID 79417997) is 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid is O=C(O)C(Cc1ccccc1F)CC1CCCCO1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid?
The InChIKey is NIYVVGZZGJHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c16-14-7-2-1-5-11(14)9-12(15(17)18)10-13-6-3-4-8-19-13/h1-2,5,7,12-13H,3-4,6,8-10H2,(H,17,18).
What are the key properties of 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid?
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid has a molecular weight of 266.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid is sourced from PubChem (CID 79417997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).