3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol

C11H13F4NO2 — CID 63082229

IUPAC3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(O)(C(C)N)C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4NO2/c1-6(16)10(17,11(13,14)15)7-3-4-9(18-2)8(12)5-7/h3-6,17H,16H2,1-2H3
InChIKeyCHVJERYAMDVSHJ-UHFFFAOYSA-N
MW267.22 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol

3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol (PubChem CID 63082229) has the molecular formula C11H13F4NO2 and a molecular weight of 267.22 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
PubChem CID63082229
Molecular FormulaC11H13F4NO2
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(O)(C(C)N)C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4NO2/c1-6(16)10(17,11(13,14)15)7-3-4-9(18-2)8(12)5-7/h3-6,17H,16H2,1-2H3
InChIKeyCHVJERYAMDVSHJ-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2,5-dimethoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 63083616
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
1-N-[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199716
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
3-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,1,1-trifluorobutan-2-ol
CID 63082063
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
(1R,3R)-3-amino-4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 171237844

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol (CID 63082229) is 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol is COc1ccc(C(O)(C(C)N)C(F)(F)F)cc1F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol?
The InChIKey is CHVJERYAMDVSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO2/c1-6(16)10(17,11(13,14)15)7-3-4-9(18-2)8(12)5-7/h3-6,17H,16H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol?
3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol has a molecular weight of 267.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 63082229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).