2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine

C10H15BrFNS — CID 112566956

IUPAC2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)Cc1sccc1Br
InChIInChI=1S/C10H15BrFNS/c1-7(2)10(12,6-13)5-9-8(11)3-4-14-9/h3-4,7H,5-6,13H2,1-2H3
InChIKeyXRKZDAQKGYTPEM-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.38
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine (PubChem CID 112566956) has the molecular formula C10H15BrFNS and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine
PubChem CID112566956
Molecular FormulaC10H15BrFNS
Molecular Weight280.21 g/mol
Exact Mass279.01
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)Cc1sccc1Br
InChIInChI=1S/C10H15BrFNS/c1-7(2)10(12,6-13)5-9-8(11)3-4-14-9/h3-4,7H,5-6,13H2,1-2H3
InChIKeyXRKZDAQKGYTPEM-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(3-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508309
1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312488
3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid
CID 165463784
2-[2,2-bis(chloromethyl)butyl]-3-bromothiophene
CID 79448344
3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene
CID 66035672
2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 112566808
2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine
CID 112565119
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 119924744
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105239061

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine (CID 112566956) is 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine is CC(C)C(F)(CN)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine?
The InChIKey is XRKZDAQKGYTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFNS/c1-7(2)10(12,6-13)5-9-8(11)3-4-14-9/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine has a molecular weight of 280.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 112566956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).