(2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide

C17H19F3N2O2 — CID 69470208

IUPAC(2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide
SMILESC=C(F)C(C)(C)[C@H](C#N)C(=O)N[C@H](C)COc1cc(F)ccc1F
InChIInChI=1S/C17H19F3N2O2/c1-10(9-24-15-7-12(19)5-6-14(15)20)22-16(23)13(8-21)17(3,4)11(2)18/h5-7,10,13H,2,9H2,1,3-4H3,(H,22,23)/t10-,13-/m1/s1
InChIKeyBVHHWMYUUWWMQF-ZWNOBZJWSA-N
MW340.35 g/mol
LogP3.50
Rot. Bonds7

About (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide

(2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide (PubChem CID 69470208) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide
PubChem CID69470208
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide
SMILESC=C(F)C(C)(C)[C@H](C#N)C(=O)N[C@H](C)COc1cc(F)ccc1F
InChIInChI=1S/C17H19F3N2O2/c1-10(9-24-15-7-12(19)5-6-14(15)20)22-16(23)13(8-21)17(3,4)11(2)18/h5-7,10,13H,2,9H2,1,3-4H3,(H,22,23)/t10-,13-/m1/s1
InChIKeyBVHHWMYUUWWMQF-ZWNOBZJWSA-N
XLogP3.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide?
The IUPAC name of (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide (CID 69470208) is (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide.
What is the SMILES notation for (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide?
The canonical SMILES for (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide is C=C(F)C(C)(C)[C@H](C#N)C(=O)N[C@H](C)COc1cc(F)ccc1F.
What is the InChIKey of (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide?
The InChIKey is BVHHWMYUUWWMQF-ZWNOBZJWSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-10(9-24-15-7-12(19)5-6-14(15)20)22-16(23)13(8-21)17(3,4)11(2)18/h5-7,10,13H,2,9H2,1,3-4H3,(H,22,23)/t10-,13-/m1/s1.
What are the key properties of (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide?
(2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide has a molecular weight of 340.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide is sourced from PubChem (CID 69470208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).