5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol

C14H17FO2 — CID 116531788

IUPAC5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
SMILESOC1(C2CCOCC2)CCc2cc(F)ccc21
InChIInChI=1S/C14H17FO2/c15-12-1-2-13-10(9-12)3-6-14(13,16)11-4-7-17-8-5-11/h1-2,9,11,16H,3-8H2
InChIKeyFEBVWIPDRULGDJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.39
Rot. Bonds1

About 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol

5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol (PubChem CID 116531788) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
PubChem CID116531788
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
SMILESOC1(C2CCOCC2)CCc2cc(F)ccc21
InChIInChI=1S/C14H17FO2/c15-12-1-2-13-10(9-12)3-6-14(13,16)11-4-7-17-8-5-11/h1-2,9,11,16H,3-8H2
InChIKeyFEBVWIPDRULGDJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
CID 80562646
4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
CID 117104442
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol
CID 58392268
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
CID 116531622
5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
CID 80562702
(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol
CID 138738593
5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
CID 116531861
5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid
CID 116531327
1-bromo-6-fluoro-2,3-dihydroinden-1-ol
CID 174726827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol (CID 116531788) is 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol is OC1(C2CCOCC2)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol?
The InChIKey is FEBVWIPDRULGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-12-1-2-13-10(9-12)3-6-14(13,16)11-4-7-17-8-5-11/h1-2,9,11,16H,3-8H2.
What are the key properties of 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol?
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol has a molecular weight of 236.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).