N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H21F3N2O2 — CID 104622498

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC1C2CCOC2C1NC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)9-4-2-1-3-7(9)13(20)19-11-10(18)8-5-6-21-12(8)11/h7-12H,1-6,18H2,(H,19,20)
InChIKeyUPYKUFZQAMOLRF-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.59
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622498) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622498
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC1C2CCOC2C1NC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)9-4-2-1-3-7(9)13(20)19-11-10(18)8-5-6-21-12(8)11/h7-12H,1-6,18H2,(H,19,20)
InChIKeyUPYKUFZQAMOLRF-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622498) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is NC1C2CCOC2C1NC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UPYKUFZQAMOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c15-14(16,17)9-4-2-1-3-7(9)13(20)19-11-10(18)8-5-6-21-12(8)11/h7-12H,1-6,18H2,(H,19,20).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).