3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine

C13H26F5NOSi — CID 152743593

IUPAC3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine
SMILESCC(C)C(C)(C)C(O[SiH](C)C)(N(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H26F5NOSi/c1-9(2)10(3,4)12(19(5)6,20-21(7)8)11(14,15)13(16,17)18/h9,21H,1-8H3
InChIKeyQQNAMGVOYJBYAO-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.12
Rot. Bonds6

About 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine

3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine (PubChem CID 152743593) has the molecular formula C13H26F5NOSi and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine.

Molecular Properties

Compound Name3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine
PubChem CID152743593
Molecular FormulaC13H26F5NOSi
Molecular Weight335.43 g/mol
Exact Mass335.17
IUPAC Name3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine
SMILESCC(C)C(C)(C)C(O[SiH](C)C)(N(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H26F5NOSi/c1-9(2)10(3,4)12(19(5)6,20-21(7)8)11(14,15)13(16,17)18/h9,21H,1-8H3
InChIKeyQQNAMGVOYJBYAO-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine
CID 152743650
1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine
CID 170273224
1,1,2,3,3,4,4,5,5,5-decafluoro-N,N,2-trimethylpentan-1-amine
CID 19761920
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane
CID 173028343
(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
CID 96572524
(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
CID 86659431
(3-dimethylsilyloxy-3-methylbutan-2-yl)-trimethylsilane
CID 123565630
methane;1,1,1,2-tetrafluoro-2,3-dimethylbutane
CID 158961607
8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane
CID 22906175
tert-butyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
CID 167721148
1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane
CID 121250084

Frequently Asked Questions

What is the IUPAC name of 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine?
The IUPAC name of 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine (CID 152743593) is 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine.
What is the SMILES notation for 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine?
The canonical SMILES for 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine is CC(C)C(C)(C)C(O[SiH](C)C)(N(C)C)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine?
The InChIKey is QQNAMGVOYJBYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F5NOSi/c1-9(2)10(3,4)12(19(5)6,20-21(7)8)11(14,15)13(16,17)18/h9,21H,1-8H3.
What are the key properties of 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine?
3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine has a molecular weight of 335.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine is sourced from PubChem (CID 152743593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).