3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide

C10H17F2NO2 — CID 126787139

IUPAC3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC[C@H](O)CNC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(14)6-13-9(15)8-3-2-4-10(11,12)5-8/h7-8,14H,2-6H2,1H3,(H,13,15)/t7-,8?/m0/s1
InChIKeyRRARSOMIPDIOOG-JAMMHHFISA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds3

About 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide

3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide (PubChem CID 126787139) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
PubChem CID126787139
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC[C@H](O)CNC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(14)6-13-9(15)8-3-2-4-10(11,12)5-8/h7-8,14H,2-6H2,1H3,(H,13,15)/t7-,8?/m0/s1
InChIKeyRRARSOMIPDIOOG-JAMMHHFISA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide (CID 126787139) is 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide is C[C@H](O)CNC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The InChIKey is RRARSOMIPDIOOG-JAMMHHFISA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(14)6-13-9(15)8-3-2-4-10(11,12)5-8/h7-8,14H,2-6H2,1H3,(H,13,15)/t7-,8?/m0/s1.
What are the key properties of 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide has a molecular weight of 221.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 126787139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).