7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide

C14H25F3N2O — CID 43712738

IUPAC7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide
SMILESNCCCCCCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-7-4-5-8-12(11)19-13(20)9-3-1-2-6-10-18/h11-12H,1-10,18H2,(H,19,20)
InChIKeyFREVMZOIGCBJAX-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.13
Rot. Bonds7

About 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide

7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide (PubChem CID 43712738) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide
PubChem CID43712738
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide
SMILESNCCCCCCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-7-4-5-8-12(11)19-13(20)9-3-1-2-6-10-18/h11-12H,1-10,18H2,(H,19,20)
InChIKeyFREVMZOIGCBJAX-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
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-[2-(trifluoromethyl)cyclohexyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide (CID 43712738) is 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide is NCCCCCCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide?
The InChIKey is FREVMZOIGCBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)11-7-4-5-8-12(11)19-13(20)9-3-1-2-6-10-18/h11-12H,1-10,18H2,(H,19,20).
What are the key properties of 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide?
7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide has a molecular weight of 294.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide is sourced from PubChem (CID 43712738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).