1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

C9H11BrF3NS — CID 61103792

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C9H11BrF3NS/c1-2-14-6(5-9(11,12)13)7-3-4-8(10)15-7/h3-4,6,14H,2,5H2,1H3
InChIKeyZHHANMQNRWIFPF-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.11
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (PubChem CID 61103792) has the molecular formula C9H11BrF3NS and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
PubChem CID61103792
Molecular FormulaC9H11BrF3NS
Molecular Weight302.16 g/mol
Exact Mass300.97
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C9H11BrF3NS/c1-2-14-6(5-9(11,12)13)7-3-4-8(10)15-7/h3-4,6,14H,2,5H2,1H3
InChIKeyZHHANMQNRWIFPF-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
1-(5-Bromothiophen-2-yl)ethan-1-amine
CID 4359396
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
(1R)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412140
(1S)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412141
1-(5-Bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 135377536
2-Bromo-6-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447171
2-(4-Bromothiophen-2-yl)pyrrolidine hydrochloride
CID 17389804
N-[(5-methylthiophen-2-yl)methyl]cycloheptanamine
CID 4720467
2-{[1-(5-Bromothiophen-2-yl)ethyl]amino}ethan-1-ol
CID 61000307
N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine
CID 70458590
1-[(4-Bromo-5-ethylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 70803730

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (CID 61103792) is 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine is CCNC(CC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZHHANMQNRWIFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NS/c1-2-14-6(5-9(11,12)13)7-3-4-8(10)15-7/h3-4,6,14H,2,5H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 302.16 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 61103792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).