3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide

C11H20F2N2O — CID 170709304

IUPAC3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCNC1CC(C(=O)NC(C)C)CC(F)(F)C1
InChIInChI=1S/C11H20F2N2O/c1-7(2)15-10(16)8-4-9(14-3)6-11(12,13)5-8/h7-9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyGVBXCXYHXDGYNJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.53
Rot. Bonds3

About 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide

3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 170709304) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID170709304
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCNC1CC(C(=O)NC(C)C)CC(F)(F)C1
InChIInChI=1S/C11H20F2N2O/c1-7(2)15-10(16)8-4-9(14-3)6-11(12,13)5-8/h7-9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyGVBXCXYHXDGYNJ-UHFFFAOYSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide (CID 170709304) is 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide is CNC1CC(C(=O)NC(C)C)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is GVBXCXYHXDGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-7(2)15-10(16)8-4-9(14-3)6-11(12,13)5-8/h7-9,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 234.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 170709304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).