4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C10H16F3NO2 — CID 112527726

IUPAC4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-8-4-2-7(3-5-8)9(15)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeySXGHZIDTZHEPEP-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds3

About 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 112527726) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID112527726
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-8-4-2-7(3-5-8)9(15)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeySXGHZIDTZHEPEP-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 112527726) is 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is COC1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is SXGHZIDTZHEPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-16-8-4-2-7(3-5-8)9(15)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112527726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).