2-[(9,9-difluorofluoren-3-yl)amino]acetic acid

C15H11F2NO2 — CID 169197961

IUPAC2-[(9,9-difluorofluoren-3-yl)amino]acetic acid
SMILESO=C(O)CNc1ccc2c(c1)-c1ccccc1C2(F)F
InChIInChI=1S/C15H11F2NO2/c16-15(17)12-4-2-1-3-10(12)11-7-9(5-6-13(11)15)18-8-14(19)20/h1-7,18H,8H2,(H,19,20)
InChIKeyQRFMKQKSXDZVSS-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.30
Rot. Bonds3

About 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid

2-[(9,9-difluorofluoren-3-yl)amino]acetic acid (PubChem CID 169197961) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(9,9-difluorofluoren-3-yl)amino]acetic acid
PubChem CID169197961
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name2-[(9,9-difluorofluoren-3-yl)amino]acetic acid
SMILESO=C(O)CNc1ccc2c(c1)-c1ccccc1C2(F)F
InChIInChI=1S/C15H11F2NO2/c16-15(17)12-4-2-1-3-10(12)11-7-9(5-6-13(11)15)18-8-14(19)20/h1-7,18H,8H2,(H,19,20)
InChIKeyQRFMKQKSXDZVSS-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 166986385
2-anilinoacetic acid;hydrazine
CID 67393863
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-(4-cyano-3-fluoroanilino)acetic acid
CID 127019892
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
2-anilinoacetic acid;formic acid
CID 174518720
1-(9,9-difluorofluoren-2-yl)ethanone
CID 145082433
2-anilinoacetic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 130383963
2-(4-bromoanilino)acetic acid
CID 6917281
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181
9,9-difluoro-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 170299334

Frequently Asked Questions

What is the IUPAC name of 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid?
The IUPAC name of 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid (CID 169197961) is 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid is O=C(O)CNc1ccc2c(c1)-c1ccccc1C2(F)F.
What is the InChIKey of 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid?
The InChIKey is QRFMKQKSXDZVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-15(17)12-4-2-1-3-10(12)11-7-9(5-6-13(11)15)18-8-14(19)20/h1-7,18H,8H2,(H,19,20).
What are the key properties of 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid?
2-[(9,9-difluorofluoren-3-yl)amino]acetic acid has a molecular weight of 275.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,9-difluorofluoren-3-yl)amino]acetic acid is sourced from PubChem (CID 169197961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).