1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine

C11H12BrF6NOS — CID 102721664

IUPAC1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C11H12BrF6NOS/c1-2-6(19)8(7-3-5(12)4-21-7)20-9(10(13,14)15)11(16,17)18/h3-4,6,8-9H,2,19H2,1H3
InChIKeySVEMYGDFMFMUBC-UHFFFAOYSA-N
MW400.18 g/mol
LogP4.80
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine

1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine (PubChem CID 102721664) has the molecular formula C11H12BrF6NOS and a molecular weight of 400.18 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine
PubChem CID102721664
Molecular FormulaC11H12BrF6NOS
Molecular Weight400.18 g/mol
Exact Mass398.97
IUPAC Name1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C11H12BrF6NOS/c1-2-6(19)8(7-3-5(12)4-21-7)20-9(10(13,14)15)11(16,17)18/h3-4,6,8-9H,2,19H2,1H3
InChIKeySVEMYGDFMFMUBC-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.18
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)butan-2-amine
CID 82004527
1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
CID 63268698
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66276064
4-bromo-2-pentan-3-ylthiophene
CID 82390181
1-(4-bromothiophen-2-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114489612
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65043376
[1-(4-bromothiophen-2-yl)-3-ethylpentyl]hydrazine
CID 105222639
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058663
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine (CID 102721664) is 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine is CCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine?
The InChIKey is SVEMYGDFMFMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF6NOS/c1-2-6(19)8(7-3-5(12)4-21-7)20-9(10(13,14)15)11(16,17)18/h3-4,6,8-9H,2,19H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine?
1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine has a molecular weight of 400.18 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 102721664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).