3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid

C17H14FNO2 — CID 79736980

IUPAC3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
SMILESCCn1c2ccccc2c2cc(C=C(F)C(=O)O)ccc21
InChIInChI=1S/C17H14FNO2/c1-2-19-15-6-4-3-5-12(15)13-9-11(7-8-16(13)19)10-14(18)17(20)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyLGAYUFMLWJPECV-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.21
Rot. Bonds3

About 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid

3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid (PubChem CID 79736980) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid.

Molecular Properties

Compound Name3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
PubChem CID79736980
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
SMILESCCn1c2ccccc2c2cc(C=C(F)C(=O)O)ccc21
InChIInChI=1S/C17H14FNO2/c1-2-19-15-6-4-3-5-12(15)13-9-11(7-8-16(13)19)10-14(18)17(20)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyLGAYUFMLWJPECV-UHFFFAOYSA-N
XLogP4.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid?
The IUPAC name of 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid (CID 79736980) is 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid.
What is the SMILES notation for 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid?
The canonical SMILES for 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid is CCn1c2ccccc2c2cc(C=C(F)C(=O)O)ccc21.
What is the InChIKey of 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid?
The InChIKey is LGAYUFMLWJPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-2-19-15-6-4-3-5-12(15)13-9-11(7-8-16(13)19)10-14(18)17(20)21/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid?
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid has a molecular weight of 283.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid is sourced from PubChem (CID 79736980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).