N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C8H7BrClF4NS — CID 103529544

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C8H7BrClF4NS/c9-5-1-4(16-6(5)10)2-15-3-8(13,14)7(11)12/h1,7,15H,2-3H2
InChIKeyKHZNJCQYDVROLT-UHFFFAOYSA-N
MW340.57 g/mol
LogP4.15
Rot. Bonds5

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529544) has the molecular formula C8H7BrClF4NS and a molecular weight of 340.57 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529544
Molecular FormulaC8H7BrClF4NS
Molecular Weight340.57 g/mol
Exact Mass338.91
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C8H7BrClF4NS/c9-5-1-4(16-6(5)10)2-15-3-8(13,14)7(11)12/h1,7,15H,2-3H2
InChIKeyKHZNJCQYDVROLT-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529544) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is FC(F)C(F)(F)CNCc1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is KHZNJCQYDVROLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF4NS/c9-5-1-4(16-6(5)10)2-15-3-8(13,14)7(11)12/h1,7,15H,2-3H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 340.57 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).