1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C8H6ClF6NS — CID 103309707

IUPAC1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(c1sccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6ClF6NS/c9-3-1-2-17-5(3)4(16)6(7(10,11)12)8(13,14)15/h1-2,4,6H,16H2
InChIKeyOHDJDSSRWSAXCM-UHFFFAOYSA-N
MW297.65 g/mol
LogP4.14
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309707) has the molecular formula C8H6ClF6NS and a molecular weight of 297.65 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103309707
Molecular FormulaC8H6ClF6NS
Molecular Weight297.65 g/mol
Exact Mass296.98
IUPAC Name1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(c1sccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6ClF6NS/c9-3-1-2-17-5(3)4(16)6(7(10,11)12)8(13,14)15/h1-2,4,6H,16H2
InChIKeyOHDJDSSRWSAXCM-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.65
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 107359618
1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130961429
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
CID 130674240
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
CID 130701576
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 107362011
1-(3-chlorothiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 80529888
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103309707) is 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is NC(c1sccc1Cl)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is OHDJDSSRWSAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF6NS/c9-3-1-2-17-5(3)4(16)6(7(10,11)12)8(13,14)15/h1-2,4,6H,16H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 297.65 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).