4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine

C7H15F3N2 — CID 142196133

IUPAC4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C(N)CN(C)C)C(F)(F)F
InChIInChI=1S/C7H15F3N2/c1-5(7(8,9)10)6(11)4-12(2)3/h5-6H,4,11H2,1-3H3
InChIKeyYPYOIECPOPHSRZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.07
Rot. Bonds3

About 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine

4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 142196133) has the molecular formula C7H15F3N2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID142196133
Molecular FormulaC7H15F3N2
Molecular Weight184.20 g/mol
Exact Mass184.12
IUPAC Name4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C(N)CN(C)C)C(F)(F)F
InChIInChI=1S/C7H15F3N2/c1-5(7(8,9)10)6(11)4-12(2)3/h5-6H,4,11H2,1-3H3
InChIKeyYPYOIECPOPHSRZ-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 142196133) is 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C(N)CN(C)C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is YPYOIECPOPHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2/c1-5(7(8,9)10)6(11)4-12(2)3/h5-6H,4,11H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine?
4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 184.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 142196133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).