2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine

C13H26Cl2F3NOSi — CID 152743650

IUPAC2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine
SMILESCC(C)C(C)(C)C(O[SiH](C)C)(N(C)C)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C13H26Cl2F3NOSi/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
InChIKeyATRJGCQJPPBKMH-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.66
Rot. Bonds6

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

2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine (PubChem CID 152743650) has the molecular formula C13H26Cl2F3NOSi and a molecular weight of 368.34 g/mol. Its IUPAC name is 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine.

Molecular Properties

Compound Name2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine
PubChem CID152743650
Molecular FormulaC13H26Cl2F3NOSi
Molecular Weight368.34 g/mol
Exact Mass367.11
IUPAC Name2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine
SMILESCC(C)C(C)(C)C(O[SiH](C)C)(N(C)C)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C13H26Cl2F3NOSi/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
InChIKeyATRJGCQJPPBKMH-UHFFFAOYSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine
CID 152743593
2-chloro-2-fluoro-3-methylbutane
CID 88897527
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol
CID 13327472
bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane
CID 173028343
(3-dimethylsilyloxy-3-methylbutan-2-yl)-trimethylsilane
CID 123565630
2-chloro-1,1,1,3,4,4-hexafluoro-2-methylbutane
CID 19781251
2-chloro-1,1,1,2-tetrafluoropropane;hydrofluoride
CID 160580359
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
methane;1,1,1,2-tetrafluoro-2,3-dimethylbutane
CID 158961607
tert-butyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
CID 167721148
1-chloro-1,1-difluoroethane;hydrate
CID 22410972

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine?
The IUPAC name of 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine (CID 152743650) is 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine.
What is the SMILES notation for 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine?
The canonical SMILES for 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine is CC(C)C(C)(C)C(O[SiH](C)C)(N(C)C)C(Cl)(Cl)C(F)(F)F.
What is the InChIKey of 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine?
The InChIKey is ATRJGCQJPPBKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Cl2F3NOSi/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 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine?
2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine has a molecular weight of 368.34 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3-dimethylsilyloxy-1,1,1-trifluoro-N,N,4,4,5-pentamethylhexan-3-amine is sourced from PubChem (CID 152743650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).