N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine

C11H17F2N3O — CID 43534058

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1nccn1C(F)F)C1CCCO1
InChIInChI=1S/C11H17F2N3O/c1-8(9-3-2-6-17-9)15-7-10-14-4-5-16(10)11(12)13/h4-5,8-9,11,15H,2-3,6-7H2,1H3
InChIKeyWTFILGOCIKNZGX-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.94
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43534058) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43534058
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1nccn1C(F)F)C1CCCO1
InChIInChI=1S/C11H17F2N3O/c1-8(9-3-2-6-17-9)15-7-10-14-4-5-16(10)11(12)13/h4-5,8-9,11,15H,2-3,6-7H2,1H3
InChIKeyWTFILGOCIKNZGX-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine (CID 43534058) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine is CC(NCc1nccn1C(F)F)C1CCCO1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is WTFILGOCIKNZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-8(9-3-2-6-17-9)15-7-10-14-4-5-16(10)11(12)13/h4-5,8-9,11,15H,2-3,6-7H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 245.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43534058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).