(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate

C17H14FNO3 — CID 8559387

IUPAC(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)OCc1ccccc1C#N
InChIInChI=1S/C17H14FNO3/c1-12(22-16-8-6-15(18)7-9-16)17(20)21-11-14-5-3-2-4-13(14)10-19/h2-9,12H,11H2,1H3/t12-/m1/s1
InChIKeyMHBIXIOSDGBJNW-GFCCVEGCSA-N
MW299.30 g/mol
LogP3.21
Rot. Bonds5

About (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate

(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate (PubChem CID 8559387) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate
PubChem CID8559387
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)OCc1ccccc1C#N
InChIInChI=1S/C17H14FNO3/c1-12(22-16-8-6-15(18)7-9-16)17(20)21-11-14-5-3-2-4-13(14)10-19/h2-9,12H,11H2,1H3/t12-/m1/s1
InChIKeyMHBIXIOSDGBJNW-GFCCVEGCSA-N
XLogP3.21
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyanophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 18268057
(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 3254737
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972
N-cyano-2-(4-fluorophenoxy)propanamide
CID 79193914
(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate
CID 9487282
(2-chloroquinolin-3-yl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 9487283
2-[2-(4-fluorophenyl)-2-oxoethyl]benzonitrile
CID 122390947
(2-cyanophenyl)methyl carbamate
CID 66644204
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983960
(2-cyanophenyl)methyl 2-benzamidopropanoate
CID 42898245
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
(2-cyanophenyl)methyl 2-amino-4-fluorobenzoate
CID 115578116

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate?
The IUPAC name of (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate (CID 8559387) is (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate.
What is the SMILES notation for (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate?
The canonical SMILES for (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate is C[C@@H](Oc1ccc(F)cc1)C(=O)OCc1ccccc1C#N.
What is the InChIKey of (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate?
The InChIKey is MHBIXIOSDGBJNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-12(22-16-8-6-15(18)7-9-16)17(20)21-11-14-5-3-2-4-13(14)10-19/h2-9,12H,11H2,1H3/t12-/m1/s1.
What are the key properties of (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate?
(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate has a molecular weight of 299.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate is sourced from PubChem (CID 8559387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).