(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid

C10H15F3O3 — CID 122373140

IUPAC(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)[C@H]([C@@H](O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c11-10(12,13)7(9(15)16)8(14)6-4-2-1-3-5-6/h6-8,14H,1-5H2,(H,15,16)/t7-,8-/m0/s1
InChIKeyMVWNBRPQNFJVFA-YUMQZZPRSA-N
MW240.22 g/mol
LogP2.19
Rot. Bonds3

About (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid

(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 122373140) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID122373140
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)[C@H]([C@@H](O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c11-10(12,13)7(9(15)16)8(14)6-4-2-1-3-5-6/h6-8,14H,1-5H2,(H,15,16)/t7-,8-/m0/s1
InChIKeyMVWNBRPQNFJVFA-YUMQZZPRSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid (CID 122373140) is (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid is O=C(O)[C@H]([C@@H](O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is MVWNBRPQNFJVFA-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15F3O3/c11-10(12,13)7(9(15)16)8(14)6-4-2-1-3-5-6/h6-8,14H,1-5H2,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid?
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 240.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 122373140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).