(2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid

C15H9FO3 — CID 82578786

IUPAC(2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid
SMILESO=C(O)/C=C1\c2cc(F)ccc2-c2c(O)cccc21
InChIInChI=1S/C15H9FO3/c16-8-4-5-10-11(6-8)12(7-14(18)19)9-2-1-3-13(17)15(9)10/h1-7,17H,(H,18,19)/b12-7-
InChIKeyZGMZHWOLNKDWNW-GHXNOFRVSA-N
MW256.23 g/mol
LogP3.03
Rot. Bonds1

About (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid

(2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid (PubChem CID 82578786) has the molecular formula C15H9FO3 and a molecular weight of 256.23 g/mol. Its IUPAC name is (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid
PubChem CID82578786
Molecular FormulaC15H9FO3
Molecular Weight256.23 g/mol
Exact Mass256.05
IUPAC Name(2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid
SMILESO=C(O)/C=C1\c2cc(F)ccc2-c2c(O)cccc21
InChIInChI=1S/C15H9FO3/c16-8-4-5-10-11(6-8)12(7-14(18)19)9-2-1-3-13(17)15(9)10/h1-7,17H,(H,18,19)/b12-7-
InChIKeyZGMZHWOLNKDWNW-GHXNOFRVSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(2-fluorofluoren-9-ylidene)acetic acid
CID 82578717
(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid
CID 82578817
(2Z)-2-(5-fluoro-2-methoxyfluoren-9-ylidene)acetic acid
CID 82578770
(2Z)-2-(2-fluoro-7-methoxyfluoren-9-ylidene)acetic acid
CID 82578784
(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid
CID 82578804
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
CID 23293571
5-fluoro-2-naphthalen-1-ylphenol
CID 83128476
(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
CID 134627735
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
2-thioxanthen-9-ylideneacetic acid
CID 66958680

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid?
The IUPAC name of (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid (CID 82578786) is (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid is O=C(O)/C=C1\c2cc(F)ccc2-c2c(O)cccc21.
What is the InChIKey of (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid?
The InChIKey is ZGMZHWOLNKDWNW-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H9FO3/c16-8-4-5-10-11(6-8)12(7-14(18)19)9-2-1-3-13(17)15(9)10/h1-7,17H,(H,18,19)/b12-7-.
What are the key properties of (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid?
(2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid has a molecular weight of 256.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-fluoro-5-hydroxyfluoren-9-ylidene)acetic acid is sourced from PubChem (CID 82578786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).