N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine

C13H29F2NSi — CID 152745318

IUPACN-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine
SMILESCCCCC(F)C(F)N[Si](CC)(CC)CCC
InChIInChI=1S/C13H29F2NSi/c1-5-9-10-12(14)13(15)16-17(7-3,8-4)11-6-2/h12-13,16H,5-11H2,1-4H3
InChIKeyXUQVFGWOWNEOEB-UHFFFAOYSA-N
MW265.46 g/mol
LogP4.80
Rot. Bonds10

About N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine

N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine (PubChem CID 152745318) has the molecular formula C13H29F2NSi and a molecular weight of 265.46 g/mol. Its IUPAC name is N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine.

Molecular Properties

Compound NameN-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine
PubChem CID152745318
Molecular FormulaC13H29F2NSi
Molecular Weight265.46 g/mol
Exact Mass265.20
IUPAC NameN-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine
SMILESCCCCC(F)C(F)N[Si](CC)(CC)CCC
InChIInChI=1S/C13H29F2NSi/c1-5-9-10-12(14)13(15)16-17(7-3,8-4)11-6-2/h12-13,16H,5-11H2,1-4H3
InChIKeyXUQVFGWOWNEOEB-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-methyldecane
CID 123598559
4-fluoro-3-methyloctane
CID 89416555
(5S,6R)-5-fluoro-6-iododecane
CID 15584091
5-fluorononane
CID 14113820
(2R,3S,4R)-2,3,4-trifluorononane
CID 102212838
N-(1,2-difluoropropyl)butan-1-amine
CID 123879237
1,2-difluoro-N-methyl-N-trimethylsilylhexan-1-amine
CID 87971034
(2S,3R)-2-fluoro-3-methylheptan-1-ol
CID 130653054
2-fluorohexan-1-amine
CID 55288883
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
1,3-difluoro-2-methyloctane
CID 134441598
bis(1-fluoropentyl)phosphane
CID 173167812

Frequently Asked Questions

What is the IUPAC name of N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine?
The IUPAC name of N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine (CID 152745318) is N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine.
What is the SMILES notation for N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine?
The canonical SMILES for N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine is CCCCC(F)C(F)N[Si](CC)(CC)CCC.
What is the InChIKey of N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine?
The InChIKey is XUQVFGWOWNEOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29F2NSi/c1-5-9-10-12(14)13(15)16-17(7-3,8-4)11-6-2/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine?
N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine has a molecular weight of 265.46 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethyl(propyl)silyl]-1,2-difluorohexan-1-amine is sourced from PubChem (CID 152745318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).