6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine

C10H17F3N2 — CID 116535336

IUPAC6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine
SMILESC#CCNC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-7-15-9(2,8-14)5-4-6-10(11,12)13/h1,15H,4-8,14H2,2H3
InChIKeyOZJZEEQQPKZMIA-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.66
Rot. Bonds6

About 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine

6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine (PubChem CID 116535336) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine
PubChem CID116535336
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine
SMILESC#CCNC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-7-15-9(2,8-14)5-4-6-10(11,12)13/h1,15H,4-8,14H2,2H3
InChIKeyOZJZEEQQPKZMIA-UHFFFAOYSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine (CID 116535336) is 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine is C#CCNC(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine?
The InChIKey is OZJZEEQQPKZMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-7-15-9(2,8-14)5-4-6-10(11,12)13/h1,15H,4-8,14H2,2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine?
6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-N-prop-2-ynylhexane-1,2-diamine is sourced from PubChem (CID 116535336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).