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

C7H8F2N2O — CID 84766594

IUPAC1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol
SMILESOC1(c2ncc(C(F)F)[nH]2)CC1
InChIInChI=1S/C7H8F2N2O/c8-5(9)4-3-10-6(11-4)7(12)1-2-7/h3,5,12H,1-2H2,(H,10,11)
InChIKeyDZHLKMXAWULMBY-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.33
Rot. Bonds2

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

1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol (PubChem CID 84766594) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol
PubChem CID84766594
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol
SMILESOC1(c2ncc(C(F)F)[nH]2)CC1
InChIInChI=1S/C7H8F2N2O/c8-5(9)4-3-10-6(11-4)7(12)1-2-7/h3,5,12H,1-2H2,(H,10,11)
InChIKeyDZHLKMXAWULMBY-UHFFFAOYSA-N
XLogP1.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
(2-(Trifluoromethyl)-1H-imidazol-5-yl)methanol
CID 596822
(5-methyl-1H-imidazol-2-yl)methanol
CID 19735771
(5-(Trifluoromethyl)-1H-imidazol-2-yl)methanol
CID 53650965
4-Methyl-2-(3,3,3-trifluoropropyl)-1H-imidazole
CID 57732280
N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 58431139
Cyclopropanamine, 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-
CID 58431219
(2-(2,2,2-Trifluoroethyl)-1H-imidazol-5-yl)methanol
CID 63108229
4-(difluoromethyl)-1H-imidazole-2-carboxylic acid
CID 84764440
1H-Imidazole, 2-cyclopropyl-5-(trifluoromethyl)-
CID 89351028
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol
CID 90030256
N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 90378785

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol (CID 84766594) is 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol is OC1(c2ncc(C(F)F)[nH]2)CC1.
What is the InChIKey of 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol?
The InChIKey is DZHLKMXAWULMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-5(9)4-3-10-6(11-4)7(12)1-2-7/h3,5,12H,1-2H2,(H,10,11).
What are the key properties of 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol?
1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol has a molecular weight of 174.15 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 84766594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).