8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol

C11H11F3O2 — CID 177205347

IUPAC8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol
SMILESOC1COCc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-7-4-10(15)6-16-5-8(7)3-9/h1-3,10,15H,4-6H2
InChIKeyHPAKWSXWEDOIPC-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.14
Rot. Bonds

About 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol

8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol (PubChem CID 177205347) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol
PubChem CID177205347
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol
SMILESOC1COCc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-7-4-10(15)6-16-5-8(7)3-9/h1-3,10,15H,4-6H2
InChIKeyHPAKWSXWEDOIPC-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 171487758
6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol
CID 67087230
[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
CID 73424795
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
CID 63019025
1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
CID 117202643
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647
(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol
CID 177205428
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 163458109
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
CID 105454115

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol?
The IUPAC name of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol (CID 177205347) is 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol.
What is the SMILES notation for 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol?
The canonical SMILES for 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol is OC1COCc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol?
The InChIKey is HPAKWSXWEDOIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-7-4-10(15)6-16-5-8(7)3-9/h1-3,10,15H,4-6H2.
What are the key properties of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol?
8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol has a molecular weight of 232.20 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol is sourced from PubChem (CID 177205347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).