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

C7H8Cl2F3NS — CID 171200577

IUPAC(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS.ClH/c8-6-2-1-5(13-6)4(12)3-7(9,10)11;/h1-2,4H,3,12H2;1H/t4-;/m1./s1
InChIKeyBHJALENTUGSYAH-PGMHMLKASA-N
MW266.12 g/mol
LogP3.78
Rot. Bonds2

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

(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride (PubChem CID 171200577) has the molecular formula C7H8Cl2F3NS and a molecular weight of 266.12 g/mol. Its IUPAC name is (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
PubChem CID171200577
Molecular FormulaC7H8Cl2F3NS
Molecular Weight266.12 g/mol
Exact Mass264.97
IUPAC Name(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS.ClH/c8-6-2-1-5(13-6)4(12)3-7(9,10)11;/h1-2,4H,3,12H2;1H/t4-;/m1./s1
InChIKeyBHJALENTUGSYAH-PGMHMLKASA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
(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
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
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
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171197929
(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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride (CID 171200577) is (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The InChIKey is BHJALENTUGSYAH-PGMHMLKASA-N. The full InChI is InChI=1S/C7H7ClF3NS.ClH/c8-6-2-1-5(13-6)4(12)3-7(9,10)11;/h1-2,4H,3,12H2;1H/t4-;/m1./s1.
What are the key properties of (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride has a molecular weight of 266.12 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171200577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).