6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide

C11H22F2N2O2 — CID 114154240

IUPAC6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H22F2N2O2/c1-2-9(5-6-14)3-4-10(17)15-7-11(12,13)8-16/h9,16H,2-8,14H2,1H3,(H,15,17)
InChIKeyMWPORUNFJZCVOK-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.89
Rot. Bonds9

About 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide

6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide (PubChem CID 114154240) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide
PubChem CID114154240
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H22F2N2O2/c1-2-9(5-6-14)3-4-10(17)15-7-11(12,13)8-16/h9,16H,2-8,14H2,1H3,(H,15,17)
InChIKeyMWPORUNFJZCVOK-UHFFFAOYSA-N
XLogP0.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 81932865
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
CID 10490109
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
CID 22849257
(4S)-N-ethyl-2,2-difluoro-3-hydroxy-4-methylheptanamide
CID 87104000
2,2-difluoro-3-hydroxy-4-propan-2-yl-N-propylhexanediamide
CID 88335011
2-(2-fluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 89973003
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-(2-methylpropyl)hexanamide
CID 122689494
(3R,4S)-4-amino-N-ethyl-2,2-difluoro-3-hydroxy-5-methylhexanamide
CID 122689642
(4S)-4-amino-N-ethyl-2,2-difluoro-3-hydroxy-5-methylhexanamide
CID 146568520
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-(2-methylpropyl)hexanamide
CID 146568728

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide?
The IUPAC name of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide (CID 114154240) is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide?
The canonical SMILES for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide is CCC(CCN)CCC(=O)NCC(F)(F)CO.
What is the InChIKey of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide?
The InChIKey is MWPORUNFJZCVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-2-9(5-6-14)3-4-10(17)15-7-11(12,13)8-16/h9,16H,2-8,14H2,1H3,(H,15,17).
What are the key properties of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide?
6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide has a molecular weight of 252.30 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-ethylhexanamide is sourced from PubChem (CID 114154240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).