(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate

C10H6Cl2F3O2- — CID 6933471

IUPAC(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate
SMILESO=C([O-])[C@H](Cl)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7Cl2F3O2/c11-7-4-6(10(13,14)15)2-1-5(7)3-8(12)9(16)17/h1-2,4,8H,3H2,(H,16,17)/p-1/t8-/m1/s1
InChIKeyVHOLGURUOOMPRW-MRVPVSSYSA-M
MW286.06 g/mol
LogP2.26
Rot. Bonds3

About (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate

(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate (PubChem CID 6933471) has the molecular formula C10H6Cl2F3O2- and a molecular weight of 286.06 g/mol. Its IUPAC name is (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Name(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate
PubChem CID6933471
Molecular FormulaC10H6Cl2F3O2-
Molecular Weight286.06 g/mol
Exact Mass284.97
IUPAC Name(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate
SMILESO=C([O-])[C@H](Cl)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7Cl2F3O2/c11-7-4-6(10(13,14)15)2-1-5(7)3-8(12)9(16)17/h1-2,4,8H,3H2,(H,16,17)/p-1/t8-/m1/s1
InChIKeyVHOLGURUOOMPRW-MRVPVSSYSA-M
XLogP2.26
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoic acid
CID 2781729
(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide
CID 7171206
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]acetic acid
CID 84698117
2-chloro-3-[2,6-dichloro-4-(trifluoromethyl)phenyl]propanoic acid
CID 170873830
2-chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]butan-1-one
CID 146009571
2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
CID 21488826
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 10858323
cis-(1R,2S)-2-[[2-chloro-4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 167752634

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate (CID 6933471) is (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate is O=C([O-])[C@H](Cl)Cc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate?
The InChIKey is VHOLGURUOOMPRW-MRVPVSSYSA-M. The full InChI is InChI=1S/C10H7Cl2F3O2/c11-7-4-6(10(13,14)15)2-1-5(7)3-8(12)9(16)17/h1-2,4,8H,3H2,(H,16,17)/p-1/t8-/m1/s1.
What are the key properties of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate?
(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate has a molecular weight of 286.06 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 6933471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).