(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol

C8H9F2NO2 — CID 155820023

IUPAC(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol
SMILESOCc1noc2c1CC(F)(F)CC2
InChIInChI=1S/C8H9F2NO2/c9-8(10)2-1-7-5(3-8)6(4-12)11-13-7/h12H,1-4H2
InChIKeyYDNKJEVCNDQVMC-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.29
Rot. Bonds1

About (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol

(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol (PubChem CID 155820023) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol
PubChem CID155820023
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol
SMILESOCc1noc2c1CC(F)(F)CC2
InChIInChI=1S/C8H9F2NO2/c9-8(10)2-1-7-5(3-8)6(4-12)11-13-7/h12H,1-4H2
InChIKeyYDNKJEVCNDQVMC-UHFFFAOYSA-N
XLogP1.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 3160254
4,5,6,7-Tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 820561
3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
4,5,6,7-Tetrahydro-1,2-benzoxazole-3-carbaldehyde
CID 14880804
5-Ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 80461625
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
{4H,5H,6H-cyclopenta[d][1,2]oxazol-3-yl}methanol
CID 23006253
(5,5-Dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanol
CID 80462604
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 9990110
3-(1,1,2,2,3,3,4,4-Octafluorobutyl)-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 101192932
3-Isoxazolecarboxylic acid, 5-cyclohexyl-4-(trifluoromethyl)-
CID 58374072
5-Isobutyl-4-(trifluoromethyl)isoxazole-3-carboxylic acid
CID 58374133

Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol?
The IUPAC name of (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol (CID 155820023) is (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol.
What is the SMILES notation for (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol?
The canonical SMILES for (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol is OCc1noc2c1CC(F)(F)CC2.
What is the InChIKey of (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol?
The InChIKey is YDNKJEVCNDQVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-8(10)2-1-7-5(3-8)6(4-12)11-13-7/h12H,1-4H2.
What are the key properties of (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol?
(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol has a molecular weight of 189.16 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol is sourced from PubChem (CID 155820023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).