2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid

C22H16FNO4 — CID 46737340

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H16FNO4/c23-18-10-5-11-19(20(18)21(25)26)24-22(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17H,12H2,(H,24,27)(H,25,26)
InChIKeyHFBURYAYFVBBBH-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.88
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid (PubChem CID 46737340) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
PubChem CID46737340
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H16FNO4/c23-18-10-5-11-19(20(18)21(25)26)24-22(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17H,12H2,(H,24,27)(H,25,26)
InChIKeyHFBURYAYFVBBBH-UHFFFAOYSA-N
XLogP4.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
CID 22569039
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
CID 6958000
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybenzoic acid
CID 22569049
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluorophenyl]butanoic acid
CID 154780161
4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
CID 127018509
5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 10873832
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid
CID 174679647
4-(diethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 165492389

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid (CID 46737340) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid is O=C(Nc1cccc(F)c1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid?
The InChIKey is HFBURYAYFVBBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c23-18-10-5-11-19(20(18)21(25)26)24-22(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17H,12H2,(H,24,27)(H,25,26).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid has a molecular weight of 377.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 46737340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).