2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol

C11H15F2NO — CID 115527154

IUPAC2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
SMILESCCC(N)C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-2-9(14)10(15)7-4-3-5-8(6-7)11(12)13/h3-6,9-11,15H,2,14H2,1H3
InChIKeyMVVRLNNYPNZRAD-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol

2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol (PubChem CID 115527154) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
PubChem CID115527154
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
SMILESCCC(N)C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-2-9(14)10(15)7-4-3-5-8(6-7)11(12)13/h3-6,9-11,15H,2,14H2,1H3
InChIKeyMVVRLNNYPNZRAD-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-(3-aminophenyl)butan-1-ol
CID 131093419
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-[[3-(difluoromethyl)phenyl]-hydroxymethyl]butanenitrile
CID 115530025
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
CID 81436992
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol (CID 115527154) is 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol is CCC(N)C(O)c1cccc(C(F)F)c1.
What is the InChIKey of 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol?
The InChIKey is MVVRLNNYPNZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-9(14)10(15)7-4-3-5-8(6-7)11(12)13/h3-6,9-11,15H,2,14H2,1H3.
What are the key properties of 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol?
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 115527154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).