6,6,6-trifluorohexane-2,4-diamine

C6H13F3N2 — CID 118321950

IUPAC6,6,6-trifluorohexane-2,4-diamine
SMILESCC(N)CC(N)CC(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-4(10)2-5(11)3-6(7,8)9/h4-5H,2-3,10-11H2,1H3
InChIKeyPIBXDFQLMGBGPS-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.00
Rot. Bonds3

About 6,6,6-trifluorohexane-2,4-diamine

6,6,6-trifluorohexane-2,4-diamine (PubChem CID 118321950) has the molecular formula C6H13F3N2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 6,6,6-trifluorohexane-2,4-diamine.

Molecular Properties

Compound Name6,6,6-trifluorohexane-2,4-diamine
PubChem CID118321950
Molecular FormulaC6H13F3N2
Molecular Weight170.18 g/mol
Exact Mass170.10
IUPAC Name6,6,6-trifluorohexane-2,4-diamine
SMILESCC(N)CC(N)CC(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-4(10)2-5(11)3-6(7,8)9/h4-5H,2-3,10-11H2,1H3
InChIKeyPIBXDFQLMGBGPS-UHFFFAOYSA-N
XLogP1.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluorohexane-2,4-diamine?
The IUPAC name of 6,6,6-trifluorohexane-2,4-diamine (CID 118321950) is 6,6,6-trifluorohexane-2,4-diamine.
What is the SMILES notation for 6,6,6-trifluorohexane-2,4-diamine?
The canonical SMILES for 6,6,6-trifluorohexane-2,4-diamine is CC(N)CC(N)CC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohexane-2,4-diamine?
The InChIKey is PIBXDFQLMGBGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2/c1-4(10)2-5(11)3-6(7,8)9/h4-5H,2-3,10-11H2,1H3.
What are the key properties of 6,6,6-trifluorohexane-2,4-diamine?
6,6,6-trifluorohexane-2,4-diamine has a molecular weight of 170.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohexane-2,4-diamine is sourced from PubChem (CID 118321950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).