(5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one

C18H14ClF3O2 — CID 134971224

IUPAC(5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1O[C@](c2ccccc2)(C(F)(F)F)CC1Cc1ccccc1Cl
InChIInChI=1S/C18H14ClF3O2/c19-15-9-5-4-6-12(15)10-13-11-17(18(20,21)22,24-16(13)23)14-7-2-1-3-8-14/h1-9,13H,10-11H2/t13?,17-/m1/s1
InChIKeyQDOHFRKHIIZJTQ-LRHAYUFXSA-N
MW354.76 g/mol
LogP4.90
Rot. Bonds3

About (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one

(5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 134971224) has the molecular formula C18H14ClF3O2 and a molecular weight of 354.76 g/mol. Its IUPAC name is (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID134971224
Molecular FormulaC18H14ClF3O2
Molecular Weight354.76 g/mol
Exact Mass354.06
IUPAC Name(5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1O[C@](c2ccccc2)(C(F)(F)F)CC1Cc1ccccc1Cl
InChIInChI=1S/C18H14ClF3O2/c19-15-9-5-4-6-12(15)10-13-11-17(18(20,21)22,24-16(13)23)14-7-2-1-3-8-14/h1-9,13H,10-11H2/t13?,17-/m1/s1
InChIKeyQDOHFRKHIIZJTQ-LRHAYUFXSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[Chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
CID 148857078
4,4-Diphenylbutyrolactone
CID 350039
2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(2-chloro-6-fluorophenyl)-, (E)-
CID 21789886
(4R,5R)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 24740266
(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 25207990
(3S,4S)-4-(4-chlorophenyl)-3-ethyl-3-phenyl-4-(trifluoromethyl)oxetan-2-one
CID 102481794
(3S,4S)-3,4-bis(4-chlorophenyl)-3-ethyl-4-(trifluoromethyl)oxetan-2-one
CID 102481798
(4S,5S)-5-(4-Chlorophenyl)-4-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581348
(4S,5S)-4,5-Diphenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581391
(4S,5S)-4-(4-Fluorophenyl)-5-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581404
(4S,5S)-5-Phenyl-4-(p-tolyl)-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581406
(4S,5S)-4-Phenyl-5-(p-tolyl)-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581411

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one (CID 134971224) is (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one is O=C1O[C@](c2ccccc2)(C(F)(F)F)CC1Cc1ccccc1Cl.
What is the InChIKey of (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is QDOHFRKHIIZJTQ-LRHAYUFXSA-N. The full InChI is InChI=1S/C18H14ClF3O2/c19-15-9-5-4-6-12(15)10-13-11-17(18(20,21)22,24-16(13)23)14-7-2-1-3-8-14/h1-9,13H,10-11H2/t13?,17-/m1/s1.
What are the key properties of (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
(5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 354.76 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 134971224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).