4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid

C22H16FNO4 — CID 63310612

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H16FNO4/c23-19-11-13(21(25)26)9-10-20(19)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12H2,(H,24,27)(H,25,26)
InChIKeyQRRPFIHJWDVLEW-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.88
Rot. Bonds4

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid (PubChem CID 63310612) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid
PubChem CID63310612
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H16FNO4/c23-19-11-13(21(25)26)9-10-20(19)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12H2,(H,24,27)(H,25,26)
InChIKeyQRRPFIHJWDVLEW-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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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid (CID 63310612) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid is O=C(Nc1ccc(C(=O)O)cc1F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid?
The InChIKey is QRRPFIHJWDVLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c23-19-11-13(21(25)26)9-10-20(19)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12H2,(H,24,27)(H,25,26).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-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 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid is sourced from PubChem (CID 63310612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).