(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol

C10H13F2NO2 — CID 142633969

IUPAC(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol
SMILESNC[C@H](O)COc1cccc(C(F)F)c1
InChIInChI=1S/C10H13F2NO2/c11-10(12)7-2-1-3-9(4-7)15-6-8(14)5-13/h1-4,8,10,14H,5-6,13H2/t8-/m0/s1
InChIKeyAKMDIZIOVFCDAH-QMMMGPOBSA-N
MW217.22 g/mol
LogP1.32
Rot. Bonds5

About (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol

(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol (PubChem CID 142633969) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol
PubChem CID142633969
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol
SMILESNC[C@H](O)COc1cccc(C(F)F)c1
InChIInChI=1S/C10H13F2NO2/c11-10(12)7-2-1-3-9(4-7)15-6-8(14)5-13/h1-4,8,10,14H,5-6,13H2/t8-/m0/s1
InChIKeyAKMDIZIOVFCDAH-QMMMGPOBSA-N
XLogP1.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
1-amino-3-(3-phenoxyphenoxy)propan-2-ol
CID 18593122
(2S)-1-amino-3-(3-isocyanophenoxy)propan-2-ol
CID 59827328
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
CID 63930638
1-[3-[(1R)-1-aminoethyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 78955931
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
1-(2-bromoethoxy)-3-(difluoromethyl)benzene
CID 121207937
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol (CID 142633969) is (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol is NC[C@H](O)COc1cccc(C(F)F)c1.
What is the InChIKey of (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol?
The InChIKey is AKMDIZIOVFCDAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-10(12)7-2-1-3-9(4-7)15-6-8(14)5-13/h1-4,8,10,14H,5-6,13H2/t8-/m0/s1.
What are the key properties of (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol?
(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol has a molecular weight of 217.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 142633969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).