7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide

C12H21F3N2O — CID 55009181

IUPAC7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide
SMILESNCCCCCCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-17(10-6-7-10)11(18)5-3-1-2-4-8-16/h10H,1-9,16H2
InChIKeyHRGQMTPBGXUOFW-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.45
Rot. Bonds8

About 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide

7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide (PubChem CID 55009181) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide
PubChem CID55009181
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide
SMILESNCCCCCCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-17(10-6-7-10)11(18)5-3-1-2-4-8-16/h10H,1-9,16H2
InChIKeyHRGQMTPBGXUOFW-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide?
The IUPAC name of 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide (CID 55009181) is 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide.
What is the SMILES notation for 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide?
The canonical SMILES for 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide is NCCCCCCC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide?
The InChIKey is HRGQMTPBGXUOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)9-17(10-6-7-10)11(18)5-3-1-2-4-8-16/h10H,1-9,16H2.
What are the key properties of 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide?
7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide has a molecular weight of 266.31 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)heptanamide is sourced from PubChem (CID 55009181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).