1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine

C8H13F2N3 — CID 103517203

IUPAC1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(N)C(F)F
InChIInChI=1S/C8H13F2N3/c1-13-5-4-12-7(13)3-2-6(11)8(9)10/h4-6,8H,2-3,11H2,1H3
InChIKeyUGCIQAYKMCYIJR-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.95
Rot. Bonds4

About 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine

1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 103517203) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID103517203
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(N)C(F)F
InChIInChI=1S/C8H13F2N3/c1-13-5-4-12-7(13)3-2-6(11)8(9)10/h4-6,8H,2-3,11H2,1H3
InChIKeyUGCIQAYKMCYIJR-UHFFFAOYSA-N
XLogP0.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-butyl-1-methylimidazole;fluoroform
CID 162050255
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine (CID 103517203) is 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine is Cn1ccnc1CCC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is UGCIQAYKMCYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-13-5-4-12-7(13)3-2-6(11)8(9)10/h4-6,8H,2-3,11H2,1H3.
What are the key properties of 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine?
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 103517203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).