3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol

C11H14BrF2NO — CID 103787908

IUPAC3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)c1ccccc1Br
InChIInChI=1S/C11H14BrF2NO/c1-7(15-6-10(16)11(13)14)8-4-2-3-5-9(8)12/h2-5,7,10-11,15-16H,6H2,1H3
InChIKeyNEKBCYHHHMPPNY-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.73
Rot. Bonds5

About 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol

3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol (PubChem CID 103787908) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
PubChem CID103787908
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)c1ccccc1Br
InChIInChI=1S/C11H14BrF2NO/c1-7(15-6-10(16)11(13)14)8-4-2-3-5-9(8)12/h2-5,7,10-11,15-16H,6H2,1H3
InChIKeyNEKBCYHHHMPPNY-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
1,1-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103788038
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
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3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192
N-[1-(2-bromophenyl)ethyl]but-2-yn-1-amine
CID 115865718
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81397433
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 104926848

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol (CID 103787908) is 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol is CC(NCC(O)C(F)F)c1ccccc1Br.
What is the InChIKey of 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol?
The InChIKey is NEKBCYHHHMPPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-7(15-6-10(16)11(13)14)8-4-2-3-5-9(8)12/h2-5,7,10-11,15-16H,6H2,1H3.
What are the key properties of 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol?
3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol has a molecular weight of 294.14 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103787908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).