N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine

C9H13F2N3 — CID 106719837

IUPACN-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)Cn1cnc(CNC2CC2)c1
InChIInChI=1S/C9H13F2N3/c10-9(11)5-14-4-8(13-6-14)3-12-7-1-2-7/h4,6-7,9,12H,1-3,5H2
InChIKeyNFMORNIMFZGBNR-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.40
Rot. Bonds5

About N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719837) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719837
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)Cn1cnc(CNC2CC2)c1
InChIInChI=1S/C9H13F2N3/c10-9(11)5-14-4-8(13-6-14)3-12-7-1-2-7/h4,6-7,9,12H,1-3,5H2
InChIKeyNFMORNIMFZGBNR-UHFFFAOYSA-N
XLogP1.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718378
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
N-[[1-(2,2,2-trifluoroethoxymethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719983
N-[[1-[3-(dimethylamino)-2,2-dimethylpropyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114203981
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
CID 107501214
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719934
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine (CID 106719837) is N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine is FC(F)Cn1cnc(CNC2CC2)c1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NFMORNIMFZGBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11)5-14-4-8(13-6-14)3-12-7-1-2-7/h4,6-7,9,12H,1-3,5H2.
What are the key properties of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 201.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).