(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride

C15H13ClF4N2O3 — CID 86751397

IUPAC(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
SMILESC[C@H](C(=O)Cl)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C15H13ClF4N2O3/c1-9(12(16)23)21-6-7-22(14(21)24)10-2-4-11(5-3-10)25-8-15(19,20)13(17)18/h2-7,9,13H,8H2,1H3/t9-/m1/s1
InChIKeySWUQMENQWNZKDL-SECBINFHSA-N
MW380.73 g/mol
LogP3.24
Rot. Bonds7

About (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride

(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride (PubChem CID 86751397) has the molecular formula C15H13ClF4N2O3 and a molecular weight of 380.73 g/mol. Its IUPAC name is (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride.

Molecular Properties

Compound Name(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
PubChem CID86751397
Molecular FormulaC15H13ClF4N2O3
Molecular Weight380.73 g/mol
Exact Mass380.06
IUPAC Name(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
SMILESC[C@H](C(=O)Cl)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C15H13ClF4N2O3/c1-9(12(16)23)21-6-7-22(14(21)24)10-2-4-11(5-3-10)25-8-15(19,20)13(17)18/h2-7,9,13H,8H2,1H3/t9-/m1/s1
InChIKeySWUQMENQWNZKDL-SECBINFHSA-N
XLogP3.24
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.73
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
CID 22904471
4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
CID 12644770
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one
CID 3003621
5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
(2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one
CID 10623733
1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one
CID 18713620
1-amino-3-[4-[5-oxo-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-1-yl]phenyl]urea
CID 22624542
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686
2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-4H-1,2,4-triazol-3-one
CID 135529713
2-[(2R,3S)-3-(2,4-difluorophenyl)-3-hydroxypent-4-en-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one
CID 10814816
(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 150510109
3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one
CID 19373678

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride?
The IUPAC name of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride (CID 86751397) is (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride.
What is the SMILES notation for (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride?
The canonical SMILES for (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride is C[C@H](C(=O)Cl)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O.
What is the InChIKey of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride?
The InChIKey is SWUQMENQWNZKDL-SECBINFHSA-N. The full InChI is InChI=1S/C15H13ClF4N2O3/c1-9(12(16)23)21-6-7-22(14(21)24)10-2-4-11(5-3-10)25-8-15(19,20)13(17)18/h2-7,9,13H,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride?
(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride has a molecular weight of 380.73 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride is sourced from PubChem (CID 86751397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).