N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine

C9H15F2N3 — CID 43111973

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3/c1-3-7(2)13-6-8-12-4-5-14(8)9(10)11/h4-5,7,9,13H,3,6H2,1-2H3
InChIKeyFUXNDKHVFWZFBU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.17
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine (PubChem CID 43111973) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
PubChem CID43111973
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3/c1-3-7(2)13-6-8-12-4-5-14(8)9(10)11/h4-5,7,9,13H,3,6H2,1-2H3
InChIKeyFUXNDKHVFWZFBU-UHFFFAOYSA-N
XLogP2.17
TPSA29.85 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine (CID 43111973) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine is CCC(C)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine?
The InChIKey is FUXNDKHVFWZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-3-7(2)13-6-8-12-4-5-14(8)9(10)11/h4-5,7,9,13H,3,6H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine has a molecular weight of 203.24 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 43111973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).