6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]

C10H10FNO — CID 155895187

IUPAC6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]
SMILESFc1ccc2c(c1)COC21CNC1
InChIInChI=1S/C10H10FNO/c11-8-1-2-9-7(3-8)4-13-10(9)5-12-6-10/h1-3,12H,4-6H2
InChIKeyGQKHOPHVKSVSLG-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.15
Rot. Bonds

About 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]

6-fluorospiro[1H-2-benzofuran-3,3'-azetidine] (PubChem CID 155895187) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine].

Molecular Properties

Compound Name6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]
PubChem CID155895187
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]
SMILESFc1ccc2c(c1)COC21CNC1
InChIInChI=1S/C10H10FNO/c11-8-1-2-9-7(3-8)4-13-10(9)5-12-6-10/h1-3,12H,4-6H2
InChIKeyGQKHOPHVKSVSLG-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]
CID 142339893
6-bromospiro[1H-2-benzofuran-3,3'-azetidine];2,2,2-trifluoroacetic acid
CID 162342448
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
CID 115062771
3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluoro-1-spiro[3H-2-benzofuran-1,3'-azetidine]-5-ylbut-2-en-1-one
CID 123300171
5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 126553087
6-[2-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]spiro[1H-2-benzofuran-3,3'-azetidine]
CID 90001807
6-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ynyl]spiro[1H-2-benzofuran-3,3'-azetidine]
CID 170719463
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]
CID 175797488
ethane;5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 144945393

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]?
The IUPAC name of 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine] (CID 155895187) is 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine].
What is the SMILES notation for 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]?
The canonical SMILES for 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine] is Fc1ccc2c(c1)COC21CNC1.
What is the InChIKey of 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]?
The InChIKey is GQKHOPHVKSVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-8-1-2-9-7(3-8)4-13-10(9)5-12-6-10/h1-3,12H,4-6H2.
What are the key properties of 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]?
6-fluorospiro[1H-2-benzofuran-3,3'-azetidine] has a molecular weight of 179.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1H-2-benzofuran-3,3'-azetidine] is sourced from PubChem (CID 155895187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).