3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine

C10H17F2N3 — CID 114384603

IUPAC3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine
SMILESCC(C)(C)c1cncn1CC(F)(F)CN
InChIInChI=1S/C10H17F2N3/c1-9(2,3)8-4-14-7-15(8)6-10(11,12)5-13/h4,7H,5-6,13H2,1-3H3
InChIKeyKAFCVPGIGGYPNI-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.77
Rot. Bonds3

About 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine

3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine (PubChem CID 114384603) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine
PubChem CID114384603
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine
SMILESCC(C)(C)c1cncn1CC(F)(F)CN
InChIInChI=1S/C10H17F2N3/c1-9(2,3)8-4-14-7-15(8)6-10(11,12)5-13/h4,7H,5-6,13H2,1-3H3
InChIKeyKAFCVPGIGGYPNI-UHFFFAOYSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine
CID 114384605
ethyl 3-(3-amino-2,2-difluoropropyl)imidazole-4-carboxylate
CID 114384618
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
CID 106291716
2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine
CID 114384620
5-tert-butyl-1-(2-methoxyethyl)imidazole
CID 155642185
2-(3-ethylimidazol-4-yl)propan-2-ol
CID 89334361
1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone
CID 84659610
2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine
CID 114707669
2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
CID 84672043
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 175885239
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine (CID 114384603) is 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine is CC(C)(C)c1cncn1CC(F)(F)CN.
What is the InChIKey of 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine?
The InChIKey is KAFCVPGIGGYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-9(2,3)8-4-14-7-15(8)6-10(11,12)5-13/h4,7H,5-6,13H2,1-3H3.
What are the key properties of 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine?
3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine has a molecular weight of 217.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 114384603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).