propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide

C10H17F6N2- — CID 158036041

IUPACpropan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide
SMILESCNC(C[N-]C(C)C)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H17F6N2/c1-7(2)18-6-8(17-3,4-9(11,12)13)5-10(14,15)16/h7,17H,4-6H2,1-3H3/q-1
InChIKeyFHTHDYLZPOBUNC-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.63
Rot. Bonds6

About propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide

propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide (PubChem CID 158036041) has the molecular formula C10H17F6N2- and a molecular weight of 279.25 g/mol. Its IUPAC name is propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide.

Molecular Properties

Compound Namepropan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide
PubChem CID158036041
Molecular FormulaC10H17F6N2-
Molecular Weight279.25 g/mol
Exact Mass279.13
IUPAC Namepropan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide
SMILESCNC(C[N-]C(C)C)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H17F6N2/c1-7(2)18-6-8(17-3,4-9(11,12)13)5-10(14,15)16/h7,17H,4-6H2,1-3H3/q-1
InChIKeyFHTHDYLZPOBUNC-UHFFFAOYSA-N
XLogP3.63
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide
CID 158348738
1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane
CID 87502285
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-(trifluoromethylamino)ethanol
CID 154201971
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
CID 114868730
methyl 4-methyl-3-(trifluoromethyl)pentanoate
CID 59459020
2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 169074064
6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
CID 129270186
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938

Frequently Asked Questions

What is the IUPAC name of propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide?
The IUPAC name of propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide (CID 158036041) is propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide.
What is the SMILES notation for propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide?
The canonical SMILES for propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide is CNC(C[N-]C(C)C)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide?
The InChIKey is FHTHDYLZPOBUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6N2/c1-7(2)18-6-8(17-3,4-9(11,12)13)5-10(14,15)16/h7,17H,4-6H2,1-3H3/q-1.
What are the key properties of propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide?
propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide has a molecular weight of 279.25 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-[4,4,4-trifluoro-2-(methylamino)-2-(2,2,2-trifluoroethyl)butyl]azanide is sourced from PubChem (CID 158036041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).