1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine

C9H15F2N3 — CID 82009899

IUPAC1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1CC(F)F
InChIInChI=1S/C9H15F2N3/c1-2-7(12)5-9-13-3-4-14(9)6-8(10)11/h3-4,7-8H,2,5-6,12H2,1H3
InChIKeyXXWFFEHKYUARRF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.43
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine

1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine (PubChem CID 82009899) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine
PubChem CID82009899
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1CC(F)F
InChIInChI=1S/C9H15F2N3/c1-2-7(12)5-9-13-3-4-14(9)6-8(10)11/h3-4,7-8H,2,5-6,12H2,1H3
InChIKeyXXWFFEHKYUARRF-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine
CID 63096712
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine
CID 63097057
1-[1-[(2-methylphenyl)methyl]imidazol-2-yl]butan-2-amine
CID 55181659
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
CID 103015060
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]butan-2-amine
CID 55181842
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760461
[3-ethyl-1-(1-ethylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105321751

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine (CID 82009899) is 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine is CCC(N)Cc1nccn1CC(F)F.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine?
The InChIKey is XXWFFEHKYUARRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-2-7(12)5-9-13-3-4-14(9)6-8(10)11/h3-4,7-8H,2,5-6,12H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine?
1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine has a molecular weight of 203.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 82009899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).