7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol

C10H11FO2 — CID 62737680

IUPAC7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
SMILESOC1COCCc2ccc(F)cc21
InChIInChI=1S/C10H11FO2/c11-8-2-1-7-3-4-13-6-10(12)9(7)5-8/h1-2,5,10,12H,3-4,6H2
InChIKeyKNGCAECTRCZZQA-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.43
Rot. Bonds

About 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol

7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol (PubChem CID 62737680) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol.

Molecular Properties

Compound Name7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
PubChem CID62737680
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
SMILESOC1COCCc2ccc(F)cc21
InChIInChI=1S/C10H11FO2/c11-8-2-1-7-3-4-13-6-10(12)9(7)5-8/h1-2,5,10,12H,3-4,6H2
InChIKeyKNGCAECTRCZZQA-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79982529
7-fluoro-6,8-dimethyl-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
CID 65297172
(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886779
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297
5-bromo-7-methyl-1,2,4,5-tetrahydro-3-benzoxepine
CID 62737114
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135001373
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
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(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
CID 98080512
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxan-3-yl)methanone
CID 84584149
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol?
The IUPAC name of 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol (CID 62737680) is 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol.
What is the SMILES notation for 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol?
The canonical SMILES for 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol is OC1COCCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol?
The InChIKey is KNGCAECTRCZZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c11-8-2-1-7-3-4-13-6-10(12)9(7)5-8/h1-2,5,10,12H,3-4,6H2.
What are the key properties of 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol?
7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol has a molecular weight of 182.19 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol is sourced from PubChem (CID 62737680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).