3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol

C11H24F2N2O — CID 22910286

IUPAC3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol
SMILESCC(C)CC(N)C(O)C(F)(F)C(N)C(C)C
InChIInChI=1S/C11H24F2N2O/c1-6(2)5-8(14)10(16)11(12,13)9(15)7(3)4/h6-10,16H,5,14-15H2,1-4H3
InChIKeyPDZBADOCCPEQLW-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.34
Rot. Bonds6

About 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol

3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol (PubChem CID 22910286) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol.

Molecular Properties

Compound Name3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol
PubChem CID22910286
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol
SMILESCC(C)CC(N)C(O)C(F)(F)C(N)C(C)C
InChIInChI=1S/C11H24F2N2O/c1-6(2)5-8(14)10(16)11(12,13)9(15)7(3)4/h6-10,16H,5,14-15H2,1-4H3
InChIKeyPDZBADOCCPEQLW-UHFFFAOYSA-N
XLogP1.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
3-Amino-4,4-difluoro-2-methyltridecan-5-ol
CID 11666146
1,4-Diamino-6,6-difluorononan-5-ol
CID 11009190
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
(4S,5R,7S)-4,7-diamino-6,6-difluoro-2,9-dimethyldecan-5-ol
CID 18655663
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
1,4-Diamino-2,2-difluoro-6-methylheptan-3-ol
CID 53789071
(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
(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
CID 67807670

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol?
The IUPAC name of 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol (CID 22910286) is 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol.
What is the SMILES notation for 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol?
The canonical SMILES for 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol is CC(C)CC(N)C(O)C(F)(F)C(N)C(C)C.
What is the InChIKey of 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol?
The InChIKey is PDZBADOCCPEQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2O/c1-6(2)5-8(14)10(16)11(12,13)9(15)7(3)4/h6-10,16H,5,14-15H2,1-4H3.
What are the key properties of 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol?
3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol has a molecular weight of 238.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4,4-difluoro-2,8-dimethylnonan-5-ol is sourced from PubChem (CID 22910286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).