3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C8H17F3N2 — CID 112555941

IUPAC3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)(C)C(N)CNCC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-7(2,3)6(12)4-13-5-8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyIBAZABQNDKZMHO-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.51
Rot. Bonds3

About 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 112555941) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID112555941
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC Name3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)(C)C(N)CNCC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-7(2,3)6(12)4-13-5-8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyIBAZABQNDKZMHO-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine 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

3,3-dimethyl-1-N-(3,3,3-trifluoropropyl)butane-1,2-diamine
CID 112555996
3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 112555935
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61264894
2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 82983950
3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
CID 107815634
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62565222
N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261802
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61150371
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457
1-N-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylbutane-1,2-diamine
CID 106012081

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 112555941) is 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CC(C)(C)C(N)CNCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is IBAZABQNDKZMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-7(2,3)6(12)4-13-5-8(9,10)11/h6,13H,4-5,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 112555941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).