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

C13H16BrF2NO — CID 106704265

IUPAC3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
SMILESOC(CNC1CC(c2cccc(Br)c2)C1)C(F)F
InChIInChI=1S/C13H16BrF2NO/c14-10-3-1-2-8(4-10)9-5-11(6-9)17-7-12(18)13(15)16/h1-4,9,11-13,17-18H,5-7H2
InChIKeyDWWPXNIZEQTDGS-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.91
Rot. Bonds5

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

3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol (PubChem CID 106704265) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
PubChem CID106704265
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
SMILESOC(CNC1CC(c2cccc(Br)c2)C1)C(F)F
InChIInChI=1S/C13H16BrF2NO/c14-10-3-1-2-8(4-10)9-5-11(6-9)17-7-12(18)13(15)16/h1-4,9,11-13,17-18H,5-7H2
InChIKeyDWWPXNIZEQTDGS-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
CID 106704288
3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 62223797
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 83177483
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol (CID 106704265) is 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol is OC(CNC1CC(c2cccc(Br)c2)C1)C(F)F.
What is the InChIKey of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol?
The InChIKey is DWWPXNIZEQTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c14-10-3-1-2-8(4-10)9-5-11(6-9)17-7-12(18)13(15)16/h1-4,9,11-13,17-18H,5-7H2.
What are the key properties of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol?
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol has a molecular weight of 320.18 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 106704265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).