(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide

C9H14F6N- — CID 158348738

IUPAC(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide
SMILESCC(C)[N-]C(C)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H14F6N/c1-6(2)16-7(3,4-8(10,11)12)5-9(13,14)15/h6H,4-5H2,1-3H3/q-1
InChIKeyGSBBHVRFMOSUMS-UHFFFAOYSA-N
MW250.21 g/mol
LogP4.43
Rot. Bonds4

About (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide

(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide (PubChem CID 158348738) has the molecular formula C9H14F6N- and a molecular weight of 250.21 g/mol. Its IUPAC name is (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide.

Molecular Properties

Compound Name(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide
PubChem CID158348738
Molecular FormulaC9H14F6N-
Molecular Weight250.21 g/mol
Exact Mass250.10
IUPAC Name(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide
SMILESCC(C)[N-]C(C)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H14F6N/c1-6(2)16-7(3,4-8(10,11)12)5-9(13,14)15/h6H,4-5H2,1-3H3/q-1
InChIKeyGSBBHVRFMOSUMS-UHFFFAOYSA-N
XLogP4.43
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide 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

6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
CID 129270186
propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide
CID 158036041
nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol
CID 169073997
3,3,4-trichloro-1,1,1-trifluoropentane
CID 167088156
CID 158264253
CID 158264253
azane;1,1,1,3,3,3-hexafluoropropane
CID 175100137
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
CID 11964067
1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
CID 87155127
tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid
CID 159866506
2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 169074064
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938

Frequently Asked Questions

What is the IUPAC name of (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide?
The IUPAC name of (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide (CID 158348738) is (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide.
What is the SMILES notation for (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide?
The canonical SMILES for (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide is CC(C)[N-]C(C)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide?
The InChIKey is GSBBHVRFMOSUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6N/c1-6(2)16-7(3,4-8(10,11)12)5-9(13,14)15/h6H,4-5H2,1-3H3/q-1.
What are the key properties of (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide?
(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide has a molecular weight of 250.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide is sourced from PubChem (CID 158348738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).