2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol

C9H10ClF2NO — CID 131211507

IUPAC2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
SMILESNC(CO)Cc1c(F)ccc(F)c1Cl
InChIInChI=1S/C9H10ClF2NO/c10-9-6(3-5(13)4-14)7(11)1-2-8(9)12/h1-2,5,14H,3-4,13H2
InChIKeyDAWPPLVYKOCEQY-UHFFFAOYSA-N
MW221.63 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol

2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol (PubChem CID 131211507) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
PubChem CID131211507
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
SMILESNC(CO)Cc1c(F)ccc(F)c1Cl
InChIInChI=1S/C9H10ClF2NO/c10-9-6(3-5(13)4-14)7(11)1-2-8(9)12/h1-2,5,14H,3-4,13H2
InChIKeyDAWPPLVYKOCEQY-UHFFFAOYSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
2-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131370592
2-amino-3-(2,3,4-trifluorophenyl)propan-1-ol;hydrochloride
CID 170892136
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892708
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol
CID 130854232
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892753

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol (CID 131211507) is 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol is NC(CO)Cc1c(F)ccc(F)c1Cl.
What is the InChIKey of 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol?
The InChIKey is DAWPPLVYKOCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-9-6(3-5(13)4-14)7(11)1-2-8(9)12/h1-2,5,14H,3-4,13H2.
What are the key properties of 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol?
2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol has a molecular weight of 221.63 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol is sourced from PubChem (CID 131211507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).