[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol

C9H7F2NO2 — CID 131092416

IUPAC[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
SMILESOCc1nc2cccc(C(F)F)c2o1
InChIInChI=1S/C9H7F2NO2/c10-9(11)5-2-1-3-6-8(5)14-7(4-13)12-6/h1-3,9,13H,4H2
InChIKeyLQMQDFHUGHWRKA-UHFFFAOYSA-N
MW199.16 g/mol
LogP2.26
Rot. Bonds2

About [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol

[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol (PubChem CID 131092416) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol.

Molecular Properties

Compound Name[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
PubChem CID131092416
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
SMILESOCc1nc2cccc(C(F)F)c2o1
InChIInChI=1S/C9H7F2NO2/c10-9(11)5-2-1-3-6-8(5)14-7(4-13)12-6/h1-3,9,13H,4H2
InChIKeyLQMQDFHUGHWRKA-UHFFFAOYSA-N
XLogP2.26
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-1,3-benzoxazol-7-ol
CID 130894821
(7-chloro-1,3-benzoxazol-2-yl)methanol
CID 130132807
(7-iodo-1,3-benzoxazol-2-yl)methanol
CID 131052024
2-bromo-1-[2-(hydroxymethyl)-1,3-benzoxazol-7-yl]ethanone
CID 131319792
N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230283
3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82230825
(2-benzyl-1,3-benzoxazol-7-yl)methanol
CID 76851596
[8-(difluoromethyl)naphthalen-1-yl]methanol
CID 118847242
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-ethyl-7-methylsulfanyl-1,3-benzoxazole
CID 130894129
[5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol
CID 131625826
[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
CID 118814572

Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol?
The IUPAC name of [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol (CID 131092416) is [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol.
What is the SMILES notation for [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol?
The canonical SMILES for [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol is OCc1nc2cccc(C(F)F)c2o1.
What is the InChIKey of [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol?
The InChIKey is LQMQDFHUGHWRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-9(11)5-2-1-3-6-8(5)14-7(4-13)12-6/h1-3,9,13H,4H2.
What are the key properties of [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol?
[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol has a molecular weight of 199.16 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol is sourced from PubChem (CID 131092416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).