2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol

C11H15F2NO — CID 11769859

IUPAC2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol
SMILESOCC(CF)(CF)NCc1ccccc1
InChIInChI=1S/C11H15F2NO/c12-7-11(8-13,9-15)14-6-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2
InChIKeyDHNDLVGITOZYER-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.45
Rot. Bonds6

About 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol

2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol (PubChem CID 11769859) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol
PubChem CID11769859
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol
SMILESOCC(CF)(CF)NCc1ccccc1
InChIInChI=1S/C11H15F2NO/c12-7-11(8-13,9-15)14-6-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2
InChIKeyDHNDLVGITOZYER-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850289
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509146
(2S)-2-(benzylamino)-2-methylbut-3-en-1-ol
CID 131187397
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850693
3-(benzylamino)-3-undecylpentane-1,5-diol
CID 19864613
2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
CID 61046363
2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
CID 61046914
2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
CID 61045994
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol?
The IUPAC name of 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol (CID 11769859) is 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol?
The canonical SMILES for 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol is OCC(CF)(CF)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol?
The InChIKey is DHNDLVGITOZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-7-11(8-13,9-15)14-6-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2.
What are the key properties of 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol?
2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol is sourced from PubChem (CID 11769859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).