5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide

C9H16F2N2O — CID 170709259

IUPAC5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide
SMILESCCNC(=O)C1CC(N)CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-2-13-8(14)6-3-7(12)5-9(10,11)4-6/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyVQQFJJOYHNEDIK-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.89
Rot. Bonds2

About 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide

5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 170709259) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide
PubChem CID170709259
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide
SMILESCCNC(=O)C1CC(N)CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-2-13-8(14)6-3-7(12)5-9(10,11)4-6/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyVQQFJJOYHNEDIK-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide (CID 170709259) is 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide is CCNC(=O)C1CC(N)CC(F)(F)C1.
What is the InChIKey of 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is VQQFJJOYHNEDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-2-13-8(14)6-3-7(12)5-9(10,11)4-6/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 170709259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).