1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C9H10ClF4NOS — CID 103475112

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClF4NOS/c10-7-2-1-6(17-7)5(15)3-16-4-9(13,14)8(11)12/h1-2,5,8H,3-4,15H2
InChIKeyQMUYMUZXDFBPAR-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.32
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475112) has the molecular formula C9H10ClF4NOS and a molecular weight of 291.70 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475112
Molecular FormulaC9H10ClF4NOS
Molecular Weight291.70 g/mol
Exact Mass291.01
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClF4NOS/c10-7-2-1-6(17-7)5(15)3-16-4-9(13,14)8(11)12/h1-2,5,8H,3-4,15H2
InChIKeyQMUYMUZXDFBPAR-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171200577
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654843
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
CID 43128661
4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43128658

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475112) is 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is QMUYMUZXDFBPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF4NOS/c10-7-2-1-6(17-7)5(15)3-16-4-9(13,14)8(11)12/h1-2,5,8H,3-4,15H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 291.70 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).