1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol

C10H13F2NO2 — CID 107105450

IUPAC1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
SMILESCC(O)(CN)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H13F2NO2/c1-10(14,6-13)7-3-2-4-8(5-7)15-9(11)12/h2-5,9,14H,6,13H2,1H3
InChIKeyBQWKDBVDQQGXJI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.45
Rot. Bonds4

About 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol

1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol (PubChem CID 107105450) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
PubChem CID107105450
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
SMILESCC(O)(CN)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H13F2NO2/c1-10(14,6-13)7-3-2-4-8(5-7)15-9(11)12/h2-5,9,14H,6,13H2,1H3
InChIKeyBQWKDBVDQQGXJI-UHFFFAOYSA-N
XLogP1.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid
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1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2-(3-butan-2-yloxyphenyl)-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propan-2-ol
CID 162348296

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol (CID 107105450) is 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol is CC(O)(CN)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol?
The InChIKey is BQWKDBVDQQGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-10(14,6-13)7-3-2-4-8(5-7)15-9(11)12/h2-5,9,14H,6,13H2,1H3.
What are the key properties of 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol?
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol has a molecular weight of 217.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 107105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).