[(E)-2-(3-fluorophenyl)ethenyl]carbamic acid

C9H8FNO2 — CID 153407146

IUPAC[(E)-2-(3-fluorophenyl)ethenyl]carbamic acid
SMILESO=C(O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C9H8FNO2/c10-8-3-1-2-7(6-8)4-5-11-9(12)13/h1-6,11H,(H,12,13)/b5-4+
InChIKeyFMAVLUGZTBSTAW-SNAWJCMRSA-N
MW181.17 g/mol
LogP2.06
Rot. Bonds2

About [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid

[(E)-2-(3-fluorophenyl)ethenyl]carbamic acid (PubChem CID 153407146) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid.

Molecular Properties

Compound Name[(E)-2-(3-fluorophenyl)ethenyl]carbamic acid
PubChem CID153407146
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name[(E)-2-(3-fluorophenyl)ethenyl]carbamic acid
SMILESO=C(O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C9H8FNO2/c10-8-3-1-2-7(6-8)4-5-11-9(12)13/h1-6,11H,(H,12,13)/b5-4+
InChIKeyFMAVLUGZTBSTAW-SNAWJCMRSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid?
The IUPAC name of [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid (CID 153407146) is [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid.
What is the SMILES notation for [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid?
The canonical SMILES for [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid is O=C(O)N/C=C/c1cccc(F)c1.
What is the InChIKey of [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid?
The InChIKey is FMAVLUGZTBSTAW-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-8-3-1-2-7(6-8)4-5-11-9(12)13/h1-6,11H,(H,12,13)/b5-4+.
What are the key properties of [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid?
[(E)-2-(3-fluorophenyl)ethenyl]carbamic acid has a molecular weight of 181.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(3-fluorophenyl)ethenyl]carbamic acid is sourced from PubChem (CID 153407146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).