1-(fluoromethyl)-9H-xanthene-9-carboxylic acid

C15H11FO3 — CID 141434757

IUPAC1-(fluoromethyl)-9H-xanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Oc2cccc(CF)c21
InChIInChI=1S/C15H11FO3/c16-8-9-4-3-7-12-13(9)14(15(17)18)10-5-1-2-6-11(10)19-12/h1-7,14H,8H2,(H,17,18)
InChIKeyFYEADISUGFVFIB-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.48
Rot. Bonds2

About 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid

1-(fluoromethyl)-9H-xanthene-9-carboxylic acid (PubChem CID 141434757) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid.

Molecular Properties

Compound Name1-(fluoromethyl)-9H-xanthene-9-carboxylic acid
PubChem CID141434757
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name1-(fluoromethyl)-9H-xanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Oc2cccc(CF)c21
InChIInChI=1S/C15H11FO3/c16-8-9-4-3-7-12-13(9)14(15(17)18)10-5-1-2-6-11(10)19-12/h1-7,14H,8H2,(H,17,18)
InChIKeyFYEADISUGFVFIB-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-9H-xanthene-9-carboxylic acid
CID 54410254
sodium;hydride;9H-xanthene-9-carboxylic acid
CID 174314940
sodium 1-propyl-9H-xanthene-9-carboxylate
CID 23699687
3-hydroxy-9H-xanthene-9-carboxylic acid
CID 22117056
2-(9H-xanthen-9-yl)acetic acid
CID 834662
1-phenyl-2-(9H-xanthen-9-yl)ethanone
CID 12510354
2,3-dimethyl-9H-xanthene-9-carboxylic acid
CID 139807013
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
3-benzoyl-3H-1-benzofuran-2-one
CID 70129495
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid?
The IUPAC name of 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid (CID 141434757) is 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid.
What is the SMILES notation for 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid?
The canonical SMILES for 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid is O=C(O)C1c2ccccc2Oc2cccc(CF)c21.
What is the InChIKey of 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid?
The InChIKey is FYEADISUGFVFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-8-9-4-3-7-12-13(9)14(15(17)18)10-5-1-2-6-11(10)19-12/h1-7,14H,8H2,(H,17,18).
What are the key properties of 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid?
1-(fluoromethyl)-9H-xanthene-9-carboxylic acid has a molecular weight of 258.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-9H-xanthene-9-carboxylic acid is sourced from PubChem (CID 141434757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).