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

C10H15F2N3O — CID 43111975

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCCO1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-4-3-14-9(15)7-13-6-8-2-1-5-16-8/h3-4,8,10,13H,1-2,5-7H2
InChIKeyFVWXXVAYCPSBJZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.55
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 43111975) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID43111975
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCCO1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-4-3-14-9(15)7-13-6-8-2-1-5-16-8/h3-4,8,10,13H,1-2,5-7H2
InChIKeyFVWXXVAYCPSBJZ-UHFFFAOYSA-N
XLogP1.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.55
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)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (CID 43111975) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is FC(F)n1ccnc1CNCC1CCCO1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is FVWXXVAYCPSBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)15-4-3-14-9(15)7-13-6-8-2-1-5-16-8/h3-4,8,10,13H,1-2,5-7H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 231.25 g/mol, XLogP of 1.55, 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)methanamine is sourced from PubChem (CID 43111975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).