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

C8H16F2N2O2 — CID 88704718

IUPAC2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid
SMILESCC(CCCN)C(N)(C(=O)O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-5(3-2-4-11)8(12,6(9)10)7(13)14/h5-6H,2-4,11-12H2,1H3,(H,13,14)
InChIKeyVKQZFEBKDLMFEP-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.41
Rot. Bonds6

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

2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid (PubChem CID 88704718) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid.

Molecular Properties

Compound Name2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid
PubChem CID88704718
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid
SMILESCC(CCCN)C(N)(C(=O)O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-5(3-2-4-11)8(12,6(9)10)7(13)14/h5-6H,2-4,11-12H2,1H3,(H,13,14)
InChIKeyVKQZFEBKDLMFEP-UHFFFAOYSA-N
XLogP0.41
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride
CID 88704717
(2S)-2,6-diamino-3-methyl-2-(2-sulfanylacetyl)hexanoic acid
CID 141310656
2,5-diamino-2-(difluoromethyl)pentanoic acid
CID 3009
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
2,6-diamino-2-(difluoromethyl)-3-oxohexanoic acid
CID 88691953
2,5-diamino-2-[chloro(fluoro)methyl]pentanoic acid
CID 18177515
(5-amino-1-hydroxy-2-methyl-1-phosphonopentyl)phosphonic acid
CID 87843654
6-amino-3-methyl-2-oxohexanoic acid
CID 87328182
(2S,3S)-2,6-diamino-3-methylhexanoic acid
CID 147560820
7-amino-4-methylheptanoic acid
CID 57310581
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939
5,6-dimethylheptane-1,6-diamine;trifluoroborane
CID 88688314

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid?
The IUPAC name of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid (CID 88704718) is 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid.
What is the SMILES notation for 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid?
The canonical SMILES for 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid is CC(CCCN)C(N)(C(=O)O)C(F)F.
What is the InChIKey of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid?
The InChIKey is VKQZFEBKDLMFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-5(3-2-4-11)8(12,6(9)10)7(13)14/h5-6H,2-4,11-12H2,1H3,(H,13,14).
What are the key properties of 2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid?
2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid has a molecular weight of 210.22 g/mol, XLogP of 0.41, 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 is sourced from PubChem (CID 88704718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).