6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride

C7H5ClF2N2O — CID 75488555

IUPAC6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride
SMILESCl.Nc1nc2ccc(F)c(F)c2o1
InChIInChI=1S/C7H4F2N2O.ClH/c8-3-1-2-4-6(5(3)9)12-7(10)11-4;/h1-2H,(H2,10,11);1H
InChIKeyHKYXWNKQOUABTQ-UHFFFAOYSA-N
MW206.58 g/mol
LogP2.11
Rot. Bonds

About 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride

6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride (PubChem CID 75488555) has the molecular formula C7H5ClF2N2O and a molecular weight of 206.58 g/mol. Its IUPAC name is 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride.

Molecular Properties

Compound Name6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride
PubChem CID75488555
Molecular FormulaC7H5ClF2N2O
Molecular Weight206.58 g/mol
Exact Mass206.01
IUPAC Name6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride
SMILESCl.Nc1nc2ccc(F)c(F)c2o1
InChIInChI=1S/C7H4F2N2O.ClH/c8-3-1-2-4-6(5(3)9)12-7(10)11-4;/h1-2H,(H2,10,11);1H
InChIKeyHKYXWNKQOUABTQ-UHFFFAOYSA-N
XLogP2.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.58
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(6,7-difluoro-1,3-benzoxazol-2-yl)sulfanyl]acetate
CID 25219186
4-fluoro-7-methyl-1,3-benzoxazol-2-amine
CID 66644540
N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine
CID 11220265
7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
CID 90645217
7-(chloromethyl)-1,3-benzoxazol-2-amine
CID 119016516
7-fluoro-2,6-dimethyl-1,3-benzoxazole
CID 20785549
4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine
CID 130512810
2-amino-1,3-benzoxazole-7-carbonitrile
CID 75488532
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine
CID 170768053
2,3-dichloro-5,6-difluoroquinoxaline
CID 87294092
3,4-difluorobenzene-1,2-diamine
CID 2736753

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride?
The IUPAC name of 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride (CID 75488555) is 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride.
What is the SMILES notation for 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride?
The canonical SMILES for 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride is Cl.Nc1nc2ccc(F)c(F)c2o1.
What is the InChIKey of 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride?
The InChIKey is HKYXWNKQOUABTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O.ClH/c8-3-1-2-4-6(5(3)9)12-7(10)11-4;/h1-2H,(H2,10,11);1H.
What are the key properties of 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride?
6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride has a molecular weight of 206.58 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride is sourced from PubChem (CID 75488555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).