3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol

C10H12BrF2NO — CID 104857699

IUPAC3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrF2NO/c11-9-3-1-8(2-4-9)5-14-6-10(12,13)7-15/h1-4,14-15H,5-7H2
InChIKeyJITUWMAJAHSQLQ-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.17
Rot. Bonds5

About 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol

3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857699) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857699
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrF2NO/c11-9-3-1-8(2-4-9)5-14-6-10(12,13)7-15/h1-4,14-15H,5-7H2
InChIKeyJITUWMAJAHSQLQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-methylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857841
3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol
CID 104857903
3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol
CID 103522473
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
3-[(3-bromo-5-nitrophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106176640
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
CID 113462742
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-2,2-difluoropropan-1-ol
CID 106172825
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
3-[(3,5-dimethoxyphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 113462705

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol (CID 104857699) is 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is JITUWMAJAHSQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c11-9-3-1-8(2-4-9)5-14-6-10(12,13)7-15/h1-4,14-15H,5-7H2.
What are the key properties of 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol?
3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 280.11 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).