3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide

C11H19F2NO3 — CID 103209045

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide
SMILESO=C(CCOCC(F)F)NC1CCCCC1O
InChIInChI=1S/C11H19F2NO3/c12-10(13)7-17-6-5-11(16)14-8-3-1-2-4-9(8)15/h8-10,15H,1-7H2,(H,14,16)
InChIKeyHONJQDQUEQXBEY-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.08
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide (PubChem CID 103209045) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide
PubChem CID103209045
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide
SMILESO=C(CCOCC(F)F)NC1CCCCC1O
InChIInChI=1S/C11H19F2NO3/c12-10(13)7-17-6-5-11(16)14-8-3-1-2-4-9(8)15/h8-10,15H,1-7H2,(H,14,16)
InChIKeyHONJQDQUEQXBEY-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxycyclohexyl)butanamide
CID 3731946
2,2,3,3,4,4,4-heptafluoro-N-[(1R,2S)-2-hydroxycyclohexyl]butanamide
CID 40538954
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 40538958
2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 40538963
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968
N-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417397
2-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexan-1-ol
CID 62360224
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 62366648
3,3,3-trifluoro-N-(2-hydroxycyclohexyl)propanamide
CID 62366806
4,4,4-trifluoro-N-(2-hydroxycyclohexyl)butanamide
CID 65711173
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 101378034

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide (CID 103209045) is 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide is O=C(CCOCC(F)F)NC1CCCCC1O.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide?
The InChIKey is HONJQDQUEQXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c12-10(13)7-17-6-5-11(16)14-8-3-1-2-4-9(8)15/h8-10,15H,1-7H2,(H,14,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide has a molecular weight of 251.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 103209045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).