2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide

C12H24F2N2O — CID 167758669

IUPAC2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)C(N)CC(F)F
InChIInChI=1S/C12H24F2N2O/c1-8(2)5-4-6-9(3)16-12(17)10(15)7-11(13)14/h8-11H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyOOQGJORNNJZDAO-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.30
Rot. Bonds8

About 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide

2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide (PubChem CID 167758669) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide
PubChem CID167758669
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)C(N)CC(F)F
InChIInChI=1S/C12H24F2N2O/c1-8(2)5-4-6-9(3)16-12(17)10(15)7-11(13)14/h8-11H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyOOQGJORNNJZDAO-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 92660565
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(2S)-2-amino-N,6-dimethylheptanamide
CID 166554166
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide?
The IUPAC name of 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide (CID 167758669) is 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide.
What is the SMILES notation for 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide?
The canonical SMILES for 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide is CC(C)CCCC(C)NC(=O)C(N)CC(F)F.
What is the InChIKey of 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide?
The InChIKey is OOQGJORNNJZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-8(2)5-4-6-9(3)16-12(17)10(15)7-11(13)14/h8-11H,4-7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide?
2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide has a molecular weight of 250.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide is sourced from PubChem (CID 167758669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).