2-amino-2-(3-chloro-4-fluorophenyl)ethanol

C8H9ClFNO — CID 3564183

IUPAC2-amino-2-(3-chloro-4-fluorophenyl)ethanol
SMILESNC(CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,11H2
InChIKeyCYZCJADBZVABTN-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-2-(3-chloro-4-fluorophenyl)ethanol

2-amino-2-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 3564183) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-fluorophenyl)ethanol
PubChem CID3564183
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name2-amino-2-(3-chloro-4-fluorophenyl)ethanol
SMILESNC(CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,11H2
InChIKeyCYZCJADBZVABTN-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
(1R)-1-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
1-(3-chloro-4-fluorophenyl)-2-methylsulfanylethanamine
CID 116830314
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol (CID 3564183) is 2-amino-2-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-4-fluorophenyl)ethanol is NC(CO)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is CYZCJADBZVABTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol?
2-amino-2-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 189.62 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 3564183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).