(2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide

C8H10F5NO — CID 172915019

IUPAC(2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(F)[C@H](F)[C@H](F)C[C@H](F)[C@@H]1F
InChIInChI=1S/C8H10F5NO/c1-14-7(15)8(13)5(11)3(9)2-4(10)6(8)12/h3-6H,2H2,1H3,(H,14,15)/t3-,4+,5-,6+,8?
InChIKeyCVIXGTIYOGCVCX-DTDYPOIKSA-N
MW231.16 g/mol
LogP1.20
Rot. Bonds1

About (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide

(2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide (PubChem CID 172915019) has the molecular formula C8H10F5NO and a molecular weight of 231.16 g/mol. Its IUPAC name is (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide
PubChem CID172915019
Molecular FormulaC8H10F5NO
Molecular Weight231.16 g/mol
Exact Mass231.07
IUPAC Name(2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(F)[C@H](F)[C@H](F)C[C@H](F)[C@@H]1F
InChIInChI=1S/C8H10F5NO/c1-14-7(15)8(13)5(11)3(9)2-4(10)6(8)12/h3-6H,2H2,1H3,(H,14,15)/t3-,4+,5-,6+,8?
InChIKeyCVIXGTIYOGCVCX-DTDYPOIKSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide?
The IUPAC name of (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide (CID 172915019) is (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(F)[C@H](F)[C@H](F)C[C@H](F)[C@@H]1F.
What is the InChIKey of (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide?
The InChIKey is CVIXGTIYOGCVCX-DTDYPOIKSA-N. The full InChI is InChI=1S/C8H10F5NO/c1-14-7(15)8(13)5(11)3(9)2-4(10)6(8)12/h3-6H,2H2,1H3,(H,14,15)/t3-,4+,5-,6+,8?.
What are the key properties of (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide?
(2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide has a molecular weight of 231.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 172915019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).