(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol

C11H15F2NO2 — CID 171264497

IUPAC(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO2/c1-2-8(15)10(14)7-5-3-4-6-9(7)16-11(12)13/h3-6,8,10-11,15H,2,14H2,1H3/t8-,10+/m0/s1
InChIKeyXINYCGRPQXCLKC-WCBMZHEXSA-N
MW231.24 g/mol
LogP2.06
Rot. Bonds5

About (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol

(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol (PubChem CID 171264497) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
PubChem CID171264497
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO2/c1-2-8(15)10(14)7-5-3-4-6-9(7)16-11(12)13/h3-6,8,10-11,15H,2,14H2,1H3/t8-,10+/m0/s1
InChIKeyXINYCGRPQXCLKC-WCBMZHEXSA-N
XLogP2.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
CID 171264524
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol (CID 171264497) is (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol is CC[C@H](O)[C@H](N)c1ccccc1OC(F)F.
What is the InChIKey of (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol?
The InChIKey is XINYCGRPQXCLKC-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-2-8(15)10(14)7-5-3-4-6-9(7)16-11(12)13/h3-6,8,10-11,15H,2,14H2,1H3/t8-,10+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol?
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol has a molecular weight of 231.24 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 171264497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).