N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C9H11BrF3NS — CID 60697524

IUPACN-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1ccc(Br)s1
InChIInChI=1S/C9H11BrF3NS/c1-14(5-4-9(11,12)13)6-7-2-3-8(10)15-7/h2-3H,4-6H2,1H3
InChIKeyQPPANPIUDAWBCM-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.89
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 60697524) has the molecular formula C9H11BrF3NS and a molecular weight of 302.16 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID60697524
Molecular FormulaC9H11BrF3NS
Molecular Weight302.16 g/mol
Exact Mass300.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1ccc(Br)s1
InChIInChI=1S/C9H11BrF3NS/c1-14(5-4-9(11,12)13)6-7-2-3-8(10)15-7/h2-3H,4-6H2,1H3
InChIKeyQPPANPIUDAWBCM-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-Bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
N-[(4-bromo-2-thienyl)methyl]-N,N',N'-trimethyl-1,2-ethanediamine
CID 30326957
[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
N-[(4-bromothiophen-2-yl)methyl]-N-methylprop-2-yn-1-amine
CID 60968971
2-Thenylamine, N,N-bis(2-bromoethyl)-5-methyl-
CID 147005
((5-Bromothiophen-2-yl)methyl)dimethylamine hydrochloride
CID 165909263
1-[(5-Bromothiophen-2-yl)methyl]-4-ethylpiperazine
CID 763267
Cambridge id 5265129
CID 764240
2-Thenylamine, N,N-bis(2-bromoethyl)-5-methyl-, hydrobromide
CID 203608
1-[(4-Bromo-5-propan-2-ylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 58115729
1-(5-bromothiophen-2-yl)-N,N-dimethylmethanamine
CID 59332723
1-[(4-Bromo-5-ethylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 70803730

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 60697524) is N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is QPPANPIUDAWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NS/c1-14(5-4-9(11,12)13)6-7-2-3-8(10)15-7/h2-3H,4-6H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 302.16 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 60697524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).