3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol

C9H10FNO — CID 18005900

IUPAC3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol
SMILESNC/C(=C\F)c1cccc(O)c1
InChIInChI=1S/C9H10FNO/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-5,12H,6,11H2/b8-5+
InChIKeyXFDXQLJFMLWWJA-VMPITWQZSA-N
MW167.18 g/mol
LogP1.66
Rot. Bonds2

About 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol

3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol (PubChem CID 18005900) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol.

Molecular Properties

Compound Name3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol
PubChem CID18005900
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol
SMILESNC/C(=C\F)c1cccc(O)c1
InChIInChI=1S/C9H10FNO/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-5,12H,6,11H2/b8-5+
InChIKeyXFDXQLJFMLWWJA-VMPITWQZSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol?
The IUPAC name of 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol (CID 18005900) is 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol.
What is the SMILES notation for 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol?
The canonical SMILES for 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol is NC/C(=C\F)c1cccc(O)c1.
What is the InChIKey of 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol?
The InChIKey is XFDXQLJFMLWWJA-VMPITWQZSA-N. The full InChI is InChI=1S/C9H10FNO/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-5,12H,6,11H2/b8-5+.
What are the key properties of 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol?
3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol has a molecular weight of 167.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-amino-1-fluoroprop-1-en-2-yl]phenol is sourced from PubChem (CID 18005900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).