3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol

C11H11F2NO2 — CID 116841072

IUPAC3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
SMILESCc1nc2ccc(C(F)(F)CCO)cc2o1
InChIInChI=1S/C11H11F2NO2/c1-7-14-9-3-2-8(6-10(9)16-7)11(12,13)4-5-15/h2-3,6,15H,4-5H2,1H3
InChIKeyGCMARIUQTRETBW-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.61
Rot. Bonds3

About 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol

3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol (PubChem CID 116841072) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
PubChem CID116841072
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
SMILESCc1nc2ccc(C(F)(F)CCO)cc2o1
InChIInChI=1S/C11H11F2NO2/c1-7-14-9-3-2-8(6-10(9)16-7)11(12,13)4-5-15/h2-3,6,15H,4-5H2,1H3
InChIKeyGCMARIUQTRETBW-UHFFFAOYSA-N
XLogP2.61
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-4-(2-methyl-1,3-benzoxazol-5-yl)butanenitrile
CID 116840933
2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
(2-methyl-1,3-benzoxazol-6-yl) 4-(trifluoromethyl)benzoate
CID 110494488
N-[2-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)propyl]carbamoyl bromide
CID 115194279
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol
CID 116841174
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
The IUPAC name of 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol (CID 116841072) is 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol.
What is the SMILES notation for 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
The canonical SMILES for 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol is Cc1nc2ccc(C(F)(F)CCO)cc2o1.
What is the InChIKey of 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
The InChIKey is GCMARIUQTRETBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-7-14-9-3-2-8(6-10(9)16-7)11(12,13)4-5-15/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol?
3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol has a molecular weight of 227.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol is sourced from PubChem (CID 116841072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).