1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol

C11H10F4N2O — CID 79873477

IUPAC1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)C(F)(F)F)nc2c(F)cccc21
InChIInChI=1S/C11H10F4N2O/c1-17-7-4-2-3-6(12)10(7)16-9(17)5-8(18)11(13,14)15/h2-4,8,18H,5H2,1H3
InChIKeyZEMJUOXLFULDNP-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.18
Rot. Bonds2

About 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol

1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79873477) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID79873477
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)C(F)(F)F)nc2c(F)cccc21
InChIInChI=1S/C11H10F4N2O/c1-17-7-4-2-3-6(12)10(7)16-9(17)5-8(18)11(13,14)15/h2-4,8,18H,5H2,1H3
InChIKeyZEMJUOXLFULDNP-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol (CID 79873477) is 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol is Cn1c(CC(O)C(F)(F)F)nc2c(F)cccc21.
What is the InChIKey of 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is ZEMJUOXLFULDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O/c1-17-7-4-2-3-6(12)10(7)16-9(17)5-8(18)11(13,14)15/h2-4,8,18H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 262.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79873477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).