4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C11H18F3NO2 — CID 112527793

IUPAC4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-17-9-4-2-8(3-5-9)10(16)15-7-6-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyHPVBFYUGXCVKJY-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds4

About 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 112527793) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID112527793
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-17-9-4-2-8(3-5-9)10(16)15-7-6-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyHPVBFYUGXCVKJY-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 112527793) is 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is COC1CCC(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is HPVBFYUGXCVKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-17-9-4-2-8(3-5-9)10(16)15-7-6-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112527793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).