1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol

C8H10F2N2O — CID 84770655

IUPAC1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol
SMILESCC(F)(F)c1ncc(C2(O)CC2)[nH]1
InChIInChI=1S/C8H10F2N2O/c1-7(9,10)6-11-4-5(12-6)8(13)2-3-8/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyKRUXKNOHJCMPOS-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.50
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol

1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol (PubChem CID 84770655) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol
PubChem CID84770655
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol
SMILESCC(F)(F)c1ncc(C2(O)CC2)[nH]1
InChIInChI=1S/C8H10F2N2O/c1-7(9,10)6-11-4-5(12-6)8(13)2-3-8/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyKRUXKNOHJCMPOS-UHFFFAOYSA-N
XLogP1.50
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1h-Imidazol-4-yl)-cyclopentanol
CID 3624889
(1h-Imidazol-4-yl)propanol
CID 12344799
1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-ol
CID 58531236
1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol
CID 123305415
1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol
CID 141295403
1,1,1-trifluoro-2-[5-[(Z)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]-1H-imidazol-2-yl]propan-2-ol
CID 170201837
2,2,2-Trifluoro-1-(2-methyl-3H-imidazol-4-YL)-ethanol
CID 4301934
1-(2-ethyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanol
CID 13615331
(1S)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
CID 40522533
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
CID 40522534
1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol
CID 84763694
1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol
CID 84766594

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol (CID 84770655) is 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol is CC(F)(F)c1ncc(C2(O)CC2)[nH]1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The InChIKey is KRUXKNOHJCMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-7(9,10)6-11-4-5(12-6)8(13)2-3-8/h4,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol has a molecular weight of 188.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1H-imidazol-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 84770655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).