3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide

C12H19F3N2O2 — CID 64892737

IUPAC3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCOC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-10(18)11(16)5-6-19-7-11/h8-9H,1-7,16H2,(H,17,18)
InChIKeyYMJYYQPZQMDSFI-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.34
Rot. Bonds2

About 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide

3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide (PubChem CID 64892737) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
PubChem CID64892737
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCOC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-10(18)11(16)5-6-19-7-11/h8-9H,1-7,16H2,(H,17,18)
InChIKeyYMJYYQPZQMDSFI-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide (CID 64892737) is 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide is NC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCOC1.
What is the InChIKey of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is YMJYYQPZQMDSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-10(18)11(16)5-6-19-7-11/h8-9H,1-7,16H2,(H,17,18).
What are the key properties of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).