2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride

C8H18Cl2F2N2O2 — CID 88704717

IUPAC2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride
SMILESCC(CCCN)C(N)(C(=O)O)C(F)F.Cl.Cl
InChIInChI=1S/C8H16F2N2O2.2ClH/c1-5(3-2-4-11)8(12,6(9)10)7(13)14;;/h5-6H,2-4,11-12H2,1H3,(H,13,14);2*1H
InChIKeyLYKDHDLIEUFAQB-UHFFFAOYSA-N
MW283.15 g/mol
LogP1.25
Rot. Bonds6

About 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride

2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride (PubChem CID 88704717) has the molecular formula C8H18Cl2F2N2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride.

Molecular Properties

Compound Name2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride
PubChem CID88704717
Molecular FormulaC8H18Cl2F2N2O2
Molecular Weight283.15 g/mol
Exact Mass282.07
IUPAC Name2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride
SMILESCC(CCCN)C(N)(C(=O)O)C(F)F.Cl.Cl
InChIInChI=1S/C8H16F2N2O2.2ClH/c1-5(3-2-4-11)8(12,6(9)10)7(13)14;;/h5-6H,2-4,11-12H2,1H3,(H,13,14);2*1H
InChIKeyLYKDHDLIEUFAQB-UHFFFAOYSA-N
XLogP1.25
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride?
The IUPAC name of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride (CID 88704717) is 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride.
What is the SMILES notation for 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride?
The canonical SMILES for 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride is CC(CCCN)C(N)(C(=O)O)C(F)F.Cl.Cl.
What is the InChIKey of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride?
The InChIKey is LYKDHDLIEUFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2.2ClH/c1-5(3-2-4-11)8(12,6(9)10)7(13)14;;/h5-6H,2-4,11-12H2,1H3,(H,13,14);2*1H.
What are the key properties of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride?
2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride has a molecular weight of 283.15 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride is sourced from PubChem (CID 88704717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).