4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol

C9H11ClFNO2 — CID 105426027

IUPAC4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol
SMILESCOc1cc(C(F)CN)c(Cl)cc1O
InChIInChI=1S/C9H11ClFNO2/c1-14-9-2-5(7(11)4-12)6(10)3-8(9)13/h2-3,7,13H,4,12H2,1H3
InChIKeyBMIQUNYEIPBBON-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.02
Rot. Bonds3

About 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol

4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol (PubChem CID 105426027) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol
PubChem CID105426027
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol
SMILESCOc1cc(C(F)CN)c(Cl)cc1O
InChIInChI=1S/C9H11ClFNO2/c1-14-9-2-5(7(11)4-12)6(10)3-8(9)13/h2-3,7,13H,4,12H2,1H3
InChIKeyBMIQUNYEIPBBON-UHFFFAOYSA-N
XLogP2.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
CID 57480108
5-chloro-2-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 130664375
4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
CID 77131047
4-amino-4-(2-chloro-4-hydroxy-5-methoxyphenyl)butanoic acid
CID 117403332
4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
CID 84671120
4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol
CID 55269768
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
5-chloro-4-(chloromethyl)-2-methoxyphenol
CID 131191143
3-amino-1-(2-bromo-5-hydroxy-4-methoxyphenyl)propane-1,2-diol
CID 170829323

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol?
The IUPAC name of 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol (CID 105426027) is 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol.
What is the SMILES notation for 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol?
The canonical SMILES for 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol is COc1cc(C(F)CN)c(Cl)cc1O.
What is the InChIKey of 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol?
The InChIKey is BMIQUNYEIPBBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-14-9-2-5(7(11)4-12)6(10)3-8(9)13/h2-3,7,13H,4,12H2,1H3.
What are the key properties of 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol?
4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol has a molecular weight of 219.64 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol is sourced from PubChem (CID 105426027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).