4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide

C11H16F3NO2 — CID 136585263

IUPAC4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)NC[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c1-7-2-4-8(5-3-7)10(17)15-6-9(16)11(12,13)14/h8-9,16H,1-6H2,(H,15,17)/t9-/m0/s1
InChIKeyRLGFTKDIWRFLPM-VIFPVBQESA-N
MW251.25 g/mol
LogP1.77
Rot. Bonds3

About 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide

4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide (PubChem CID 136585263) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide
PubChem CID136585263
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)NC[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c1-7-2-4-8(5-3-7)10(17)15-6-9(16)11(12,13)14/h8-9,16H,1-6H2,(H,15,17)/t9-/m0/s1
InChIKeyRLGFTKDIWRFLPM-VIFPVBQESA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide (CID 136585263) is 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide is C=C1CCC(C(=O)NC[C@H](O)C(F)(F)F)CC1.
What is the InChIKey of 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide?
The InChIKey is RLGFTKDIWRFLPM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-7-2-4-8(5-3-7)10(17)15-6-9(16)11(12,13)14/h8-9,16H,1-6H2,(H,15,17)/t9-/m0/s1.
What are the key properties of 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide?
4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 136585263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).