3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol

C12H17F2NO2 — CID 103377013

IUPAC3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol
SMILESCC(O)C(C)OC(CN)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-7(16)8(2)17-12(6-15)10-5-9(13)3-4-11(10)14/h3-5,7-8,12,16H,6,15H2,1-2H3
InChIKeyUKFLFUQDEDTCKY-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.75
Rot. Bonds5

About 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol

3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol (PubChem CID 103377013) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol
PubChem CID103377013
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol
SMILESCC(O)C(C)OC(CN)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-7(16)8(2)17-12(6-15)10-5-9(13)3-4-11(10)14/h3-5,7-8,12,16H,6,15H2,1-2H3
InChIKeyUKFLFUQDEDTCKY-UHFFFAOYSA-N
XLogP1.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
2-(2,5-difluorophenyl)propanamide
CID 141213802
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-[1-(2,5-difluorophenyl)ethylamino]oxyacetamide
CID 112673156
2-amino-1-(2,5-difluorophenyl)ethanethiol
CID 116868604
2-(2,5-difluorophenyl)pentan-3-ol
CID 79299015
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol?
The IUPAC name of 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol (CID 103377013) is 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol.
What is the SMILES notation for 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol?
The canonical SMILES for 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol is CC(O)C(C)OC(CN)c1cc(F)ccc1F.
What is the InChIKey of 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol?
The InChIKey is UKFLFUQDEDTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-7(16)8(2)17-12(6-15)10-5-9(13)3-4-11(10)14/h3-5,7-8,12,16H,6,15H2,1-2H3.
What are the key properties of 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol?
3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol is sourced from PubChem (CID 103377013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).