(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine

C6H13F3N2 — CID 129365506

IUPAC(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
SMILESCN(C)[C@H](CCN)C(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-11(2)5(3-4-10)6(7,8)9/h5H,3-4,10H2,1-2H3/t5-/m1/s1
InChIKeyXBKVYCMJGUOEBK-RXMQYKEDSA-N
MW170.18 g/mol
LogP0.83
Rot. Bonds3

About (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine

(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 129365506) has the molecular formula C6H13F3N2 and a molecular weight of 170.18 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
PubChem CID129365506
Molecular FormulaC6H13F3N2
Molecular Weight170.18 g/mol
Exact Mass170.10
IUPAC Name(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
SMILESCN(C)[C@H](CCN)C(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-11(2)5(3-4-10)6(7,8)9/h5H,3-4,10H2,1-2H3/t5-/m1/s1
InChIKeyXBKVYCMJGUOEBK-RXMQYKEDSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-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

1,1,1-trifluoro-N,N-dimethylpentan-2-amine
CID 116914306
3-N-cycloheptyl-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 43753188
3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
CID 61444704
3-N-(1-ethylpiperidin-4-yl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 55004402
4,4,4-trifluoro-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 55001955
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol
CID 114948583
1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
CID 175280673
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide
CID 55002752
3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171932253
3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982622

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine (CID 129365506) is (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine is CN(C)[C@H](CCN)C(F)(F)F.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is XBKVYCMJGUOEBK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13F3N2/c1-11(2)5(3-4-10)6(7,8)9/h5H,3-4,10H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine?
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 170.18 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 129365506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).