(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate

C13H10FO3- — CID 6935403

IUPAC(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
SMILESO=C([O-])C[C@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H11FO3/c14-10-5-3-9(4-6-10)11(8-13(15)16)12-2-1-7-17-12/h1-7,11H,8H2,(H,15,16)/p-1/t11-/m1/s1
InChIKeyBUDQOVLQTWNZHM-LLVKDONJSA-M
MW233.22 g/mol
LogP1.69
Rot. Bonds4

About (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate

(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate (PubChem CID 6935403) has the molecular formula C13H10FO3- and a molecular weight of 233.22 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
PubChem CID6935403
Molecular FormulaC13H10FO3-
Molecular Weight233.22 g/mol
Exact Mass233.06
IUPAC Name(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
SMILESO=C([O-])C[C@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H11FO3/c14-10-5-3-9(4-6-10)11(8-13(15)16)12-2-1-7-17-12/h1-7,11H,8H2,(H,15,16)/p-1/t11-/m1/s1
InChIKeyBUDQOVLQTWNZHM-LLVKDONJSA-M
XLogP1.69
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
(3R)-3-azaniumyl-3-(furan-2-yl)propanoate
CID 7145288
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
CID 2038667
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
CID 2047970
(3S)-N-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 895410
(3S)-N-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 895409
(2S)-2-(4-fluorophenyl)butanedioate
CID 6926195
(3R)-3-(furan-2-yl)-4-methylpentanoate
CID 7258657
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42570744
2-[[5-[(2R)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42570745
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate (CID 6935403) is (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate is O=C([O-])C[C@H](c1ccc(F)cc1)c1ccco1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate?
The InChIKey is BUDQOVLQTWNZHM-LLVKDONJSA-M. The full InChI is InChI=1S/C13H11FO3/c14-10-5-3-9(4-6-10)11(8-13(15)16)12-2-1-7-17-12/h1-7,11H,8H2,(H,15,16)/p-1/t11-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate?
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate has a molecular weight of 233.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate is sourced from PubChem (CID 6935403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).