(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol

C11H14BrF2NO — CID 171263004

IUPAC(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2NO/c1-2-3-9(16)11(15)10-7(13)4-6(12)5-8(10)14/h4-5,9,11,16H,2-3,15H2,1H3/t9-,11-/m0/s1
InChIKeyCULSNUSFHYHVBB-ONGXEEELSA-N
MW294.14 g/mol
LogP2.89
Rot. Bonds4

About (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol

(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol (PubChem CID 171263004) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol
PubChem CID171263004
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2NO/c1-2-3-9(16)11(15)10-7(13)4-6(12)5-8(10)14/h4-5,9,11,16H,2-3,15H2,1H3/t9-,11-/m0/s1
InChIKeyCULSNUSFHYHVBB-ONGXEEELSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
(1R,2S)-1-amino-1-(4-chloro-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171264386
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
CID 171267227
(1S,2R)-1-amino-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]pentan-2-ol
CID 171271722
1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
CID 83402968
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171160160
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171161591
4-[(1R,2S)-1-amino-2-hydroxypentyl]-3,5-dimethoxyphenol
CID 171263078
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol (CID 171263004) is (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol is CCC[C@H](O)[C@H](N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol?
The InChIKey is CULSNUSFHYHVBB-ONGXEEELSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-2-3-9(16)11(15)10-7(13)4-6(12)5-8(10)14/h4-5,9,11,16H,2-3,15H2,1H3/t9-,11-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol?
(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol has a molecular weight of 294.14 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol is sourced from PubChem (CID 171263004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).