cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol

C11H17FN2O — CID 155057396

IUPACcis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
SMILESC[C@H]1CC[C@@H](F)C(n2ccnc2)CC1O
InChIInChI=1S/C11H17FN2O/c1-8-2-3-9(12)10(6-11(8)15)14-5-4-13-7-14/h4-5,7-11,15H,2-3,6H2,1H3/t8-,9+,10?,11?/m0/s1
InChIKeyHELIVUCBUKJJPB-IZUQBHJASA-N
MW212.27 g/mol
LogP1.94
Rot. Bonds1

About cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol

cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol (PubChem CID 155057396) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol.

Molecular Properties

Compound Namecis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
PubChem CID155057396
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Namecis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
SMILESC[C@H]1CC[C@@H](F)C(n2ccnc2)CC1O
InChIInChI=1S/C11H17FN2O/c1-8-2-3-9(12)10(6-11(8)15)14-5-4-13-7-14/h4-5,7-11,15H,2-3,6H2,1H3/t8-,9+,10?,11?/m0/s1
InChIKeyHELIVUCBUKJJPB-IZUQBHJASA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol?
The IUPAC name of cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol (CID 155057396) is cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol.
What is the SMILES notation for cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol?
The canonical SMILES for cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol is C[C@H]1CC[C@@H](F)C(n2ccnc2)CC1O.
What is the InChIKey of cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol?
The InChIKey is HELIVUCBUKJJPB-IZUQBHJASA-N. The full InChI is InChI=1S/C11H17FN2O/c1-8-2-3-9(12)10(6-11(8)15)14-5-4-13-7-14/h4-5,7-11,15H,2-3,6H2,1H3/t8-,9+,10?,11?/m0/s1.
What are the key properties of cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol?
cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol is sourced from PubChem (CID 155057396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).