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

C10H20F2N2O2 — CID 106176663

IUPAC6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide
SMILESCC(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C10H20F2N2O2/c1-8(4-5-13)2-3-9(16)14-6-10(11,12)7-15/h8,15H,2-7,13H2,1H3,(H,14,16)
InChIKeyVCPZDKOBNBADRD-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.50
Rot. Bonds8

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

6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide (PubChem CID 106176663) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide
PubChem CID106176663
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide
SMILESCC(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C10H20F2N2O2/c1-8(4-5-13)2-3-9(16)14-6-10(11,12)7-15/h8,15H,2-7,13H2,1H3,(H,14,16)
InChIKeyVCPZDKOBNBADRD-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.50
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-methylhexanamide?
The IUPAC name of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide (CID 106176663) is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide?
The canonical SMILES for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide is CC(CCN)CCC(=O)NCC(F)(F)CO.
What is the InChIKey of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide?
The InChIKey is VCPZDKOBNBADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-8(4-5-13)2-3-9(16)14-6-10(11,12)7-15/h8,15H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide?
6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylhexanamide has a molecular weight of 238.28 g/mol, XLogP of 0.50, 8 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-methylhexanamide is sourced from PubChem (CID 106176663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).