2-fluoro-3-(2-fluorophenoxy)propan-1-amine

C9H11F2NO — CID 105442441

IUPAC2-fluoro-3-(2-fluorophenoxy)propan-1-amine
SMILESNCC(F)COc1ccccc1F
InChIInChI=1S/C9H11F2NO/c10-7(5-12)6-13-9-4-2-1-3-8(9)11/h1-4,7H,5-6,12H2
InChIKeyUWUWBCDOUFYVNF-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.50
Rot. Bonds4

About 2-fluoro-3-(2-fluorophenoxy)propan-1-amine

2-fluoro-3-(2-fluorophenoxy)propan-1-amine (PubChem CID 105442441) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-fluoro-3-(2-fluorophenoxy)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(2-fluorophenoxy)propan-1-amine
PubChem CID105442441
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-fluoro-3-(2-fluorophenoxy)propan-1-amine
SMILESNCC(F)COc1ccccc1F
InChIInChI=1S/C9H11F2NO/c10-7(5-12)6-13-9-4-2-1-3-8(9)11/h1-4,7H,5-6,12H2
InChIKeyUWUWBCDOUFYVNF-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid
CID 118561459
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
2-[(2-fluorophenoxy)methyl]butane-1,4-diol
CID 117236856
methyl 2-[(2-fluorophenoxy)methyl]-3-methylbutanoate
CID 117242489
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-fluorophenoxy)propan-1-amine?
The IUPAC name of 2-fluoro-3-(2-fluorophenoxy)propan-1-amine (CID 105442441) is 2-fluoro-3-(2-fluorophenoxy)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(2-fluorophenoxy)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(2-fluorophenoxy)propan-1-amine is NCC(F)COc1ccccc1F.
What is the InChIKey of 2-fluoro-3-(2-fluorophenoxy)propan-1-amine?
The InChIKey is UWUWBCDOUFYVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-7(5-12)6-13-9-4-2-1-3-8(9)11/h1-4,7H,5-6,12H2.
What are the key properties of 2-fluoro-3-(2-fluorophenoxy)propan-1-amine?
2-fluoro-3-(2-fluorophenoxy)propan-1-amine has a molecular weight of 187.19 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-fluorophenoxy)propan-1-amine is sourced from PubChem (CID 105442441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).