1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide

C9H16F2N2O — CID 81434056

IUPAC1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C9H16F2N2O/c10-7(11)6-13-8(14)9(12)4-2-1-3-5-9/h7H,1-6,12H2,(H,13,14)
InChIKeyVDVYGQZYFYDFAF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.03
Rot. Bonds3

About 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide

1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (PubChem CID 81434056) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
PubChem CID81434056
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C9H16F2N2O/c10-7(11)6-13-8(14)9(12)4-2-1-3-5-9/h7H,1-6,12H2,(H,13,14)
InChIKeyVDVYGQZYFYDFAF-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (CID 81434056) is 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide is NC1(C(=O)NCC(F)F)CCCCC1.
What is the InChIKey of 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is VDVYGQZYFYDFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c10-7(11)6-13-8(14)9(12)4-2-1-3-5-9/h7H,1-6,12H2,(H,13,14).
What are the key properties of 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 81434056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).