11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one

C17H11FO2 — CID 145218750

IUPAC11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one
SMILESO=C1c2c(ccc3ccccc23)OC2C=CC=C(F)C12
InChIInChI=1S/C17H11FO2/c18-12-6-3-7-13-16(12)17(19)15-11-5-2-1-4-10(11)8-9-14(15)20-13/h1-9,13,16H
InChIKeyXVISORGDAVNSNZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.82
Rot. Bonds

About 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one

11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one (PubChem CID 145218750) has the molecular formula C17H11FO2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one.

Molecular Properties

Compound Name11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one
PubChem CID145218750
Molecular FormulaC17H11FO2
Molecular Weight266.27 g/mol
Exact Mass266.07
IUPAC Name11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one
SMILESO=C1c2c(ccc3ccccc23)OC2C=CC=C(F)C12
InChIInChI=1S/C17H11FO2/c18-12-6-3-7-13-16(12)17(19)15-11-5-2-1-4-10(11)8-9-14(15)20-13/h1-9,13,16H
InChIKeyXVISORGDAVNSNZ-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(14R,15R)-14,15-diphenyl-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene-13,16-dione
CID 11477920
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 11733511
13-imino-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydrochloride
CID 175713549
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 167007774
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
CID 102367587
(1S)-1-[(1R)-3-oxo-1,2-dihydrobenzo[f][1,3]benzoxazin-1-yl]-1,2-dihydrobenzo[f][1,3]benzoxazin-3-one
CID 102487535
hydron;13,13'-spirobi[12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
CID 134904349
2-[5-(4a,9b-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167182202
ethane;2-[(3E,5Z)-hepta-3,5-dien-3-yl]-2H-benzo[g][1]benzoxepin-1-one
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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one?
The IUPAC name of 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one (CID 145218750) is 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one.
What is the SMILES notation for 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one?
The canonical SMILES for 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one is O=C1c2c(ccc3ccccc23)OC2C=CC=C(F)C12.
What is the InChIKey of 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one?
The InChIKey is XVISORGDAVNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO2/c18-12-6-3-7-13-16(12)17(19)15-11-5-2-1-4-10(11)8-9-14(15)20-13/h1-9,13,16H.
What are the key properties of 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one?
11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one has a molecular weight of 266.27 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-7a,11a-dihydrobenzo[a]xanthen-12-one is sourced from PubChem (CID 145218750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).