(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide

C13H15F4NO3 — CID 100617899

IUPAC(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
SMILESC[C@@H](Oc1cccc(F)c1)C(=O)NCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C13H15F4NO3/c1-8(21-10-4-2-3-9(14)7-10)12(20)18-6-5-11(19)13(15,16)17/h2-4,7-8,11,19H,5-6H2,1H3,(H,18,20)/t8-,11-/m1/s1
InChIKeyIQQXRGDHSXQWMO-LDYMZIIASA-N
MW309.26 g/mol
LogP2.02
Rot. Bonds6

About (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide

(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide (PubChem CID 100617899) has the molecular formula C13H15F4NO3 and a molecular weight of 309.26 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
PubChem CID100617899
Molecular FormulaC13H15F4NO3
Molecular Weight309.26 g/mol
Exact Mass309.10
IUPAC Name(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
SMILESC[C@@H](Oc1cccc(F)c1)C(=O)NCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C13H15F4NO3/c1-8(21-10-4-2-3-9(14)7-10)12(20)18-6-5-11(19)13(15,16)17/h2-4,7-8,11,19H,5-6H2,1H3,(H,18,20)/t8-,11-/m1/s1
InChIKeyIQQXRGDHSXQWMO-LDYMZIIASA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60675242
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CID 107833758
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
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(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397
2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940911
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
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CID 61246472

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide?
The IUPAC name of (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide (CID 100617899) is (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide.
What is the SMILES notation for (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide?
The canonical SMILES for (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide is C[C@@H](Oc1cccc(F)c1)C(=O)NCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide?
The InChIKey is IQQXRGDHSXQWMO-LDYMZIIASA-N. The full InChI is InChI=1S/C13H15F4NO3/c1-8(21-10-4-2-3-9(14)7-10)12(20)18-6-5-11(19)13(15,16)17/h2-4,7-8,11,19H,5-6H2,1H3,(H,18,20)/t8-,11-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide?
(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide has a molecular weight of 309.26 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide is sourced from PubChem (CID 100617899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).