5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide

C10H18F2N2O — CID 170709238

IUPAC5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CC(N)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-6(2)14-9(15)7-3-8(13)5-10(11,12)4-7/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyNAVNANLIRUMWIW-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.27
Rot. Bonds2

About 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide

5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 170709238) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID170709238
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CC(N)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-6(2)14-9(15)7-3-8(13)5-10(11,12)4-7/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyNAVNANLIRUMWIW-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide (CID 170709238) is 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CC(N)CC(F)(F)C1.
What is the InChIKey of 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NAVNANLIRUMWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-6(2)14-9(15)7-3-8(13)5-10(11,12)4-7/h6-8H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 170709238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).