(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride

C8H8ClFN2O — CID 126797029

IUPAC(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc2cc(F)ccc12
InChIInChI=1S/C8H7FN2O.ClH/c9-5-1-2-6-7(4-10)11-12-8(6)3-5;/h1-3H,4,10H2;1H
InChIKeyODDAVRZXWYZYCZ-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.85
Rot. Bonds1

About (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride

(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride (PubChem CID 126797029) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
PubChem CID126797029
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc2cc(F)ccc12
InChIInChI=1S/C8H7FN2O.ClH/c9-5-1-2-6-7(4-10)11-12-8(6)3-5;/h1-3H,4,10H2;1H
InChIKeyODDAVRZXWYZYCZ-UHFFFAOYSA-N
XLogP1.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
CID 130221894
N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine
CID 84665921
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 82020480
3-[3-(azepan-1-yl)propyl]-6-fluoro-1,2-benzoxazole
CID 13319879
3-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-fluoro-1,2-benzoxazole
CID 171704882
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969997
6-fluoro-1,2-benzoxazole-3-carbaldehyde
CID 89169705
N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
CID 13319887
N-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 171998075
6-fluoro-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997354

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride (CID 126797029) is (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride is Cl.NCc1noc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
The InChIKey is ODDAVRZXWYZYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O.ClH/c9-5-1-2-6-7(4-10)11-12-8(6)3-5;/h1-3H,4,10H2;1H.
What are the key properties of (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride has a molecular weight of 202.62 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126797029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).