(6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid

C14H16F3NO2 — CID 58118632

IUPAC(6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
SMILESCC(C)(c1ccc2c(n1)CC[C@@H](C(=O)O)C2)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-13(2,14(15,16)17)11-6-4-8-7-9(12(19)20)3-5-10(8)18-11/h4,6,9H,3,5,7H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyHBJCUVRSGNZIKP-SECBINFHSA-N
MW287.28 g/mol
LogP3.11
Rot. Bonds2

About (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid

(6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid (PubChem CID 58118632) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
PubChem CID58118632
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
SMILESCC(C)(c1ccc2c(n1)CC[C@@H](C(=O)O)C2)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-13(2,14(15,16)17)11-6-4-8-7-9(12(19)20)3-5-10(8)18-11/h4,6,9H,3,5,7H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyHBJCUVRSGNZIKP-SECBINFHSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
The IUPAC name of (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid (CID 58118632) is (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid.
What is the SMILES notation for (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
The canonical SMILES for (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid is CC(C)(c1ccc2c(n1)CC[C@@H](C(=O)O)C2)C(F)(F)F.
What is the InChIKey of (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
The InChIKey is HBJCUVRSGNZIKP-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-13(2,14(15,16)17)11-6-4-8-7-9(12(19)20)3-5-10(8)18-11/h4,6,9H,3,5,7H2,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
(6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid is sourced from PubChem (CID 58118632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).