1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol

C8H13F2N3O — CID 103731677

IUPAC1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
SMILESCn1ccnc1CNCC(O)C(F)F
InChIInChI=1S/C8H13F2N3O/c1-13-3-2-12-7(13)5-11-4-6(14)8(9)10/h2-3,6,8,11,14H,4-5H2,1H3
InChIKeyPEHOEOIYPYPCTC-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.14
Rot. Bonds5

About 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol

1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol (PubChem CID 103731677) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
PubChem CID103731677
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
SMILESCn1ccnc1CNCC(O)C(F)F
InChIInChI=1S/C8H13F2N3O/c1-13-3-2-12-7(13)5-11-4-6(14)8(9)10/h2-3,6,8,11,14H,4-5H2,1H3
InChIKeyPEHOEOIYPYPCTC-UHFFFAOYSA-N
XLogP0.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylimidazol-2-yl)methylamino]methyl]propanimidamide
CID 103369725
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol (CID 103731677) is 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol is Cn1ccnc1CNCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
The InChIKey is PEHOEOIYPYPCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-13-3-2-12-7(13)5-11-4-6(14)8(9)10/h2-3,6,8,11,14H,4-5H2,1H3.
What are the key properties of 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol has a molecular weight of 205.21 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103731677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).