N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H13BrF3NS — CID 55208482

IUPACN-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1sccc1Br)CC(F)(F)F
InChIInChI=1S/C10H13BrF3NS/c1-2-4-15(7-10(12,13)14)6-9-8(11)3-5-16-9/h3,5H,2,4,6-7H2,1H3
InChIKeyWCVLTJMTRDCQTA-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.28
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55208482) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55208482
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1sccc1Br)CC(F)(F)F
InChIInChI=1S/C10H13BrF3NS/c1-2-4-15(7-10(12,13)14)6-9-8(11)3-5-16-9/h3,5H,2,4,6-7H2,1H3
InChIKeyWCVLTJMTRDCQTA-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55208482) is N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1sccc1Br)CC(F)(F)F.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is WCVLTJMTRDCQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-2-4-15(7-10(12,13)14)6-9-8(11)3-5-16-9/h3,5H,2,4,6-7H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 316.19 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55208482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).