4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine

C9H12F3NOS — CID 104992725

IUPAC4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
SMILESCOc1ccsc1C(N)CCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-14-7-3-5-15-8(7)6(13)2-4-9(10,11)12/h3,5-6H,2,4,13H2,1H3
InChIKeyQUWJYCNRBMFIQK-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.10
Rot. Bonds4

About 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine

4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine (PubChem CID 104992725) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
PubChem CID104992725
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
SMILESCOc1ccsc1C(N)CCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-14-7-3-5-15-8(7)6(13)2-4-9(10,11)12/h3,5-6H,2,4,13H2,1H3
InChIKeyQUWJYCNRBMFIQK-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
(1R)-4,4,4-trifluoro-1-(2,4,5-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171199538
2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171202401
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171221953
1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993607
2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 105013840
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine (CID 104992725) is 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine is COc1ccsc1C(N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine?
The InChIKey is QUWJYCNRBMFIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-14-7-3-5-15-8(7)6(13)2-4-9(10,11)12/h3,5-6H,2,4,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine?
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine has a molecular weight of 239.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine is sourced from PubChem (CID 104992725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).