(6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol

C7H7F2NO2 — CID 105435958

IUPAC(6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol
SMILESOCc1noc2c1CCC2(F)F
InChIInChI=1S/C7H7F2NO2/c8-7(9)2-1-4-5(3-11)10-12-6(4)7/h11H,1-3H2
InChIKeyQPRWVHRAECMYDE-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.20
Rot. Bonds1

About (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol

(6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol (PubChem CID 105435958) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol.

Molecular Properties

Compound Name(6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol
PubChem CID105435958
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name(6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol
SMILESOCc1noc2c1CCC2(F)F
InChIInChI=1S/C7H7F2NO2/c8-7(9)2-1-4-5(3-11)10-12-6(4)7/h11H,1-3H2
InChIKeyQPRWVHRAECMYDE-UHFFFAOYSA-N
XLogP1.20
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{4H,5H,6H-cyclopenta[d][1,2]oxazol-3-yl}methanol
CID 23006253
sodium 4H,5H,6H-cyclopenta(d)(1,2)oxazole-3-carboxylate
CID 145913206
(5,5-Difluoro-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanol
CID 155820023
6-fluoro-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
CID 89095932
[5-(2-Methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol
CID 91084799
5,6-Dihydro-4H-cyclopenta[d]isoxazole-3-carboxylic acid
CID 23006221
[5-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol
CID 80462605
3-(Trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
CID 83861264
6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105430202
4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105430204
(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanol
CID 105430602
(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanol
CID 105430603

Frequently Asked Questions

What is the IUPAC name of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol?
The IUPAC name of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol (CID 105435958) is (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol.
What is the SMILES notation for (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol?
The canonical SMILES for (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol is OCc1noc2c1CCC2(F)F.
What is the InChIKey of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol?
The InChIKey is QPRWVHRAECMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-7(9)2-1-4-5(3-11)10-12-6(4)7/h11H,1-3H2.
What are the key properties of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol?
(6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol has a molecular weight of 175.13 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol is sourced from PubChem (CID 105435958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).