1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine

C7H7ClF3NS — CID 43114604

IUPAC1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS/c8-6-2-1-5(13-6)4(12)3-7(9,10)11/h1-2,4H,3,12H2
InChIKeyYUSGGKLHQIPTPR-UHFFFAOYSA-N
MW229.65 g/mol
LogP3.35
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine

1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 43114604) has the molecular formula C7H7ClF3NS and a molecular weight of 229.65 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID43114604
Molecular FormulaC7H7ClF3NS
Molecular Weight229.65 g/mol
Exact Mass228.99
IUPAC Name1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS/c8-6-2-1-5(13-6)4(12)3-7(9,10)11/h1-2,4H,3,12H2
InChIKeyYUSGGKLHQIPTPR-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475112
(1S)-3,3,3-trifluoro-1-(5-nitrothiophen-2-yl)propan-1-amine
CID 171236380
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 107126160
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864081
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine (CID 43114604) is 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is YUSGGKLHQIPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NS/c8-6-2-1-5(13-6)4(12)3-7(9,10)11/h1-2,4H,3,12H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 229.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43114604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).