2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol

C11H8BrF2NOS — CID 171254508

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol
SMILESN[C@@H](c1cccs1)c1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C11H8BrF2NOS/c12-5-4-6(13)9(14)8(11(5)16)10(15)7-2-1-3-17-7/h1-4,10,16H,15H2/t10-/m0/s1
InChIKeyQDHGVCKNKDQOFW-JTQLQIEISA-N
MW320.16 g/mol
LogP3.54
Rot. Bonds2

About 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol

2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol (PubChem CID 171254508) has the molecular formula C11H8BrF2NOS and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol
PubChem CID171254508
Molecular FormulaC11H8BrF2NOS
Molecular Weight320.16 g/mol
Exact Mass318.95
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol
SMILESN[C@@H](c1cccs1)c1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C11H8BrF2NOS/c12-5-4-6(13)9(14)8(11(5)16)10(15)7-2-1-3-17-7/h1-4,10,16H,15H2/t10-/m0/s1
InChIKeyQDHGVCKNKDQOFW-JTQLQIEISA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino(thiophen-2-yl)methyl]-6-bromo-3-fluorophenol
CID 131523204
6-[(S)-amino(thiophen-2-yl)methyl]-4-bromo-2,3-difluorophenol
CID 171257937
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
CID 131274072
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256307
2-[(S)-amino(thiophen-2-yl)methyl]-4-bromo-3-hydroxybenzoic acid;hydrochloride
CID 171259527
(2S)-2-amino-2-(5-bromo-2,3-difluoro-6-hydroxyphenyl)acetic acid
CID 66513152
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-bromo-3,4-difluorophenol
CID 131256767
3-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-2-hydroxybenzoic acid
CID 171254642
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol
CID 171257578
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol;hydrochloride
CID 171257579

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol (CID 171254508) is 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol is N[C@@H](c1cccs1)c1c(O)c(Br)cc(F)c1F.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol?
The InChIKey is QDHGVCKNKDQOFW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H8BrF2NOS/c12-5-4-6(13)9(14)8(11(5)16)10(15)7-2-1-3-17-7/h1-4,10,16H,15H2/t10-/m0/s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol?
2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol has a molecular weight of 320.16 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol is sourced from PubChem (CID 171254508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).