2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid

C16H13FO3 — CID 82578945

IUPAC2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid
SMILESCOc1ccc2c(c1)C(CC(=O)O)c1cccc(F)c1-2
InChIInChI=1S/C16H13FO3/c1-20-9-5-6-11-12(7-9)13(8-15(18)19)10-3-2-4-14(17)16(10)11/h2-7,13H,8H2,1H3,(H,18,19)
InChIKeyGIRWCYWKCWXHFS-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.42
Rot. Bonds3

About 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid

2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid (PubChem CID 82578945) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid
PubChem CID82578945
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid
SMILESCOc1ccc2c(c1)C(CC(=O)O)c1cccc(F)c1-2
InChIInChI=1S/C16H13FO3/c1-20-9-5-6-11-12(7-9)13(8-15(18)19)10-3-2-4-14(17)16(10)11/h2-7,13H,8H2,1H3,(H,18,19)
InChIKeyGIRWCYWKCWXHFS-UHFFFAOYSA-N
XLogP3.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
3-(5,6-difluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)propanoic acid
CID 83985211
3-ethoxycarbonyl-2-(2-fluoro-4-methoxyphenyl)benzoic acid
CID 169449776
(2Z)-2-(5-fluoro-2-methoxyfluoren-9-ylidene)acetic acid
CID 82578770
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898
3-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propanoic acid
CID 83985242
2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 110447418
2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid
CID 82578915
2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid
CID 166242317
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid (CID 82578945) is 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid is COc1ccc2c(c1)C(CC(=O)O)c1cccc(F)c1-2.
What is the InChIKey of 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid?
The InChIKey is GIRWCYWKCWXHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-20-9-5-6-11-12(7-9)13(8-15(18)19)10-3-2-4-14(17)16(10)11/h2-7,13H,8H2,1H3,(H,18,19).
What are the key properties of 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid?
2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid has a molecular weight of 272.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid is sourced from PubChem (CID 82578945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).