(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine

C10H11ClF2O2 — CID 167711983

IUPAC(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
SMILESC[C@H](Cc1cccc(Cl)c1)C(=O)O.FF
InChIInChI=1S/C10H11ClO2.F2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8;1-2/h2-4,6-7H,5H2,1H3,(H,12,13);/t7-;/m1./s1
InChIKeyZYZXQVFORJCQHX-OGFXRTJISA-N
MW236.64 g/mol
LogP3.44
Rot. Bonds3

About (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine

(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine (PubChem CID 167711983) has the molecular formula C10H11ClF2O2 and a molecular weight of 236.64 g/mol. Its IUPAC name is (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine.

Molecular Properties

Compound Name(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
PubChem CID167711983
Molecular FormulaC10H11ClF2O2
Molecular Weight236.64 g/mol
Exact Mass236.04
IUPAC Name(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
SMILESC[C@H](Cc1cccc(Cl)c1)C(=O)O.FF
InChIInChI=1S/C10H11ClO2.F2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8;1-2/h2-4,6-7H,5H2,1H3,(H,12,13);/t7-;/m1./s1
InChIKeyZYZXQVFORJCQHX-OGFXRTJISA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
(2S)-3-(3-chlorophenyl)-2-(fluoroamino)propanoic acid
CID 174451213
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
CID 115112810
3-[3-(2,2-difluoropropyl)phenyl]-2-methylpropanoic acid
CID 84703295
2-[(3-chlorophenyl)methyl]-4-fluorobutanoic acid
CID 80694134
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine?
The IUPAC name of (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine (CID 167711983) is (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine.
What is the SMILES notation for (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine?
The canonical SMILES for (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine is C[C@H](Cc1cccc(Cl)c1)C(=O)O.FF.
What is the InChIKey of (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine?
The InChIKey is ZYZXQVFORJCQHX-OGFXRTJISA-N. The full InChI is InChI=1S/C10H11ClO2.F2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8;1-2/h2-4,6-7H,5H2,1H3,(H,12,13);/t7-;/m1./s1.
What are the key properties of (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine?
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine has a molecular weight of 236.64 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine is sourced from PubChem (CID 167711983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).