1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine

C7H5BrClF4NS — CID 102828109

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESNC(c1cc(Br)c(Cl)s1)C(F)(F)C(F)F
InChIInChI=1S/C7H5BrClF4NS/c8-2-1-3(15-5(2)9)4(14)7(12,13)6(10)11/h1,4,6H,14H2
InChIKeyUDVAQEPGCRIOHI-UHFFFAOYSA-N
MW326.54 g/mol
LogP4.06
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine

1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 102828109) has the molecular formula C7H5BrClF4NS and a molecular weight of 326.54 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID102828109
Molecular FormulaC7H5BrClF4NS
Molecular Weight326.54 g/mol
Exact Mass324.90
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESNC(c1cc(Br)c(Cl)s1)C(F)(F)C(F)F
InChIInChI=1S/C7H5BrClF4NS/c8-2-1-3(15-5(2)9)4(14)7(12,13)6(10)11/h1,4,6H,14H2
InChIKeyUDVAQEPGCRIOHI-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 80532874
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
(4-bromo-5-chlorothiophen-2-yl)-[4-bromo-3-(trifluoromethyl)phenyl]methanamine
CID 102828030
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102828128
1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine
CID 102828055
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
1-(4-bromo-5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102828379
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
CID 102841382

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine (CID 102828109) is 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine is NC(c1cc(Br)c(Cl)s1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is UDVAQEPGCRIOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF4NS/c8-2-1-3(15-5(2)9)4(14)7(12,13)6(10)11/h1,4,6H,14H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 326.54 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 102828109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).