2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine

C10H19F3N2 — CID 116535273

IUPAC2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NC1CC1
InChIInChI=1S/C10H19F3N2/c1-9(7-14,15-8-3-4-8)5-2-6-10(11,12)13/h8,15H,2-7,14H2,1H3
InChIKeyNVPBNJZWCRAQTH-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.19
Rot. Bonds6

About 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine

2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine (PubChem CID 116535273) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine
PubChem CID116535273
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NC1CC1
InChIInChI=1S/C10H19F3N2/c1-9(7-14,15-8-3-4-8)5-2-6-10(11,12)13/h8,15H,2-7,14H2,1H3
InChIKeyNVPBNJZWCRAQTH-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine (CID 116535273) is 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine is CC(CN)(CCCC(F)(F)F)NC1CC1.
What is the InChIKey of 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
The InChIKey is NVPBNJZWCRAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(7-14,15-8-3-4-8)5-2-6-10(11,12)13/h8,15H,2-7,14H2,1H3.
What are the key properties of 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine is sourced from PubChem (CID 116535273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).