3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride

C9H11ClFNO — CID 45264269

IUPAC3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride
SMILESCl.NC/C(=C/F)c1cccc(O)c1
InChIInChI=1S/C9H10FNO.ClH/c10-5-8(6-11)7-2-1-3-9(12)4-7;/h1-5,12H,6,11H2;1H/b8-5-;
InChIKeyNFDLUEBGRNABPE-HGKIGUAWSA-N
MW203.64 g/mol
LogP2.08
Rot. Bonds2

About 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride

3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride (PubChem CID 45264269) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride
PubChem CID45264269
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride
SMILESCl.NC/C(=C/F)c1cccc(O)c1
InChIInChI=1S/C9H10FNO.ClH/c10-5-8(6-11)7-2-1-3-9(12)4-7;/h1-5,12H,6,11H2;1H/b8-5-;
InChIKeyNFDLUEBGRNABPE-HGKIGUAWSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride?
The IUPAC name of 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride (CID 45264269) is 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride?
The canonical SMILES for 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride is Cl.NC/C(=C/F)c1cccc(O)c1.
What is the InChIKey of 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride?
The InChIKey is NFDLUEBGRNABPE-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H10FNO.ClH/c10-5-8(6-11)7-2-1-3-9(12)4-7;/h1-5,12H,6,11H2;1H/b8-5-;.
What are the key properties of 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride?
3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride has a molecular weight of 203.64 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol;hydrochloride is sourced from PubChem (CID 45264269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).