3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol

C11H14FNO — CID 118369923

IUPAC3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol
SMILESC/C=C(\NCCF)c1cccc(O)c1
InChIInChI=1S/C11H14FNO/c1-2-11(13-7-6-12)9-4-3-5-10(14)8-9/h2-5,8,13-14H,6-7H2,1H3/b11-2-
InChIKeyTXPQBVHKRDWDDO-FUQNDXKWSA-N
MW195.24 g/mol
LogP2.31
Rot. Bonds4

About 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol

3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol (PubChem CID 118369923) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol.

Molecular Properties

Compound Name3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol
PubChem CID118369923
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol
SMILESC/C=C(\NCCF)c1cccc(O)c1
InChIInChI=1S/C11H14FNO/c1-2-11(13-7-6-12)9-4-3-5-10(14)8-9/h2-5,8,13-14H,6-7H2,1H3/b11-2-
InChIKeyTXPQBVHKRDWDDO-FUQNDXKWSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol?
The IUPAC name of 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol (CID 118369923) is 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol.
What is the SMILES notation for 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol?
The canonical SMILES for 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol is C/C=C(\NCCF)c1cccc(O)c1.
What is the InChIKey of 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol?
The InChIKey is TXPQBVHKRDWDDO-FUQNDXKWSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-11(13-7-6-12)9-4-3-5-10(14)8-9/h2-5,8,13-14H,6-7H2,1H3/b11-2-.
What are the key properties of 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol?
3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol has a molecular weight of 195.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(2-fluoroethylamino)prop-1-enyl]phenol is sourced from PubChem (CID 118369923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).