1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine

C6H10F5N — CID 166858336

IUPAC1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine
SMILESCC(C)C(NC(F)(F)F)C(F)F
InChIInChI=1S/C6H10F5N/c1-3(2)4(5(7)8)12-6(9,10)11/h3-5,12H,1-2H3
InChIKeyVYPBJKISQOCATN-UHFFFAOYSA-N
MW191.14 g/mol
LogP2.39
Rot. Bonds3

About 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine

1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine (PubChem CID 166858336) has the molecular formula C6H10F5N and a molecular weight of 191.14 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine
PubChem CID166858336
Molecular FormulaC6H10F5N
Molecular Weight191.14 g/mol
Exact Mass191.07
IUPAC Name1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine
SMILESCC(C)C(NC(F)(F)F)C(F)F
InChIInChI=1S/C6H10F5N/c1-3(2)4(5(7)8)12-6(9,10)11/h3-5,12H,1-2H3
InChIKeyVYPBJKISQOCATN-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine
CID 162494430
1-(trifluoromethylamino)ethanol
CID 154201971
1,2-difluoro-N-(trifluoromethyl)ethanamine
CID 174358007
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
(2S)-1,1,2-trifluoropropane
CID 57131379
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
1,1-difluoroethane
CID 6368
2-chloro-2-fluoro-3-methylbutane
CID 88897527
N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine
CID 102869336
2,3-dimethyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]butan-2-amine
CID 166766950
N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine
CID 167208038
(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride
CID 170910721

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine (CID 166858336) is 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine is CC(C)C(NC(F)(F)F)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine?
The InChIKey is VYPBJKISQOCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5N/c1-3(2)4(5(7)8)12-6(9,10)11/h3-5,12H,1-2H3.
What are the key properties of 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine?
1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine has a molecular weight of 191.14 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 166858336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).