(4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol

C12H26F2N2O — CID 18655663

IUPAC(4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol
SMILESCC(C)C[C@H](N)[C@@H](O)C(F)(F)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26F2N2O/c1-7(2)5-9(15)11(17)12(13,14)10(16)6-8(3)4/h7-11,17H,5-6,15-16H2,1-4H3/t9-,10-,11+/m0/s1
InChIKeyYSXUTPYLOLOTHB-GARJFASQSA-N
MW252.35 g/mol
LogP1.73
Rot. Bonds7

About (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol

(4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol (PubChem CID 18655663) has the molecular formula C12H26F2N2O and a molecular weight of 252.35 g/mol. Its IUPAC name is (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol.

Molecular Properties

Compound Name(4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol
PubChem CID18655663
Molecular FormulaC12H26F2N2O
Molecular Weight252.35 g/mol
Exact Mass252.20
IUPAC Name(4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol
SMILESCC(C)C[C@H](N)[C@@H](O)C(F)(F)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26F2N2O/c1-7(2)5-9(15)11(17)12(13,14)10(16)6-8(3)4/h7-11,17H,5-6,15-16H2,1-4H3/t9-,10-,11+/m0/s1
InChIKeyYSXUTPYLOLOTHB-GARJFASQSA-N
XLogP1.73
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol with MolForge

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Related Compounds

(2R,3S)-2-amino-11-methyldodecan-3-ol
CID 44127631
(3S,4R)-3-amino-2-methyltridecan-4-ol
CID 118735807
1,4-Diamino-2,2-difluoro-6-methylheptan-3-ol
CID 53789071
3-Amino-4,4-difluoro-2-methyltridecan-5-ol
CID 11666146
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
2,5-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18939543
1,4-Diamino-5-cyclohexyl-2,2-difluoropentan-3-ol
CID 20027209
3,6-Diamino-2,8-dimethyl-5-hydroxy-4,4-difluorononane
CID 22910286
(3R,4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-ol
CID 57238064
(3R,4S)-1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-ol
CID 57277584
(2R,3S,5R)-2-amino-1-cyclohexyl-4,4-difluoro-7-methyl-5-propyloctan-3-ol
CID 57295116
(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
CID 67807670

Frequently Asked Questions

What is the IUPAC name of (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol?
The IUPAC name of (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol (CID 18655663) is (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol.
What is the SMILES notation for (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol?
The canonical SMILES for (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol is CC(C)C[C@H](N)[C@@H](O)C(F)(F)[C@@H](N)CC(C)C.
What is the InChIKey of (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol?
The InChIKey is YSXUTPYLOLOTHB-GARJFASQSA-N. The full InChI is InChI=1S/C12H26F2N2O/c1-7(2)5-9(15)11(17)12(13,14)10(16)6-8(3)4/h7-11,17H,5-6,15-16H2,1-4H3/t9-,10-,11+/m0/s1.
What are the key properties of (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol?
(4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol has a molecular weight of 252.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol is sourced from PubChem (CID 18655663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).