[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine

C15H13ClF3NS — CID 43331838

IUPAC[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)s1)C1CC1
InChIInChI=1S/C15H13ClF3NS/c16-11-4-3-9(7-10(11)15(17,18)19)12-5-6-13(21-12)14(20)8-1-2-8/h3-8,14H,1-2,20H2
InChIKeyQBQXHZSPJADTEB-UHFFFAOYSA-N
MW331.79 g/mol
LogP5.50
Rot. Bonds3

About [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine

[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine (PubChem CID 43331838) has the molecular formula C15H13ClF3NS and a molecular weight of 331.79 g/mol. Its IUPAC name is [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine
PubChem CID43331838
Molecular FormulaC15H13ClF3NS
Molecular Weight331.79 g/mol
Exact Mass331.04
IUPAC Name[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)s1)C1CC1
InChIInChI=1S/C15H13ClF3NS/c16-11-4-3-9(7-10(11)15(17,18)19)12-5-6-13(21-12)14(20)8-1-2-8/h3-8,14H,1-2,20H2
InChIKeyQBQXHZSPJADTEB-UHFFFAOYSA-N
XLogP5.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.79
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 54955892
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 55119222
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43154410
cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 66475661
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-methylpropan-1-amine
CID 43288150
cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 63037880
(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
CID 171207653
cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
CID 107589478
(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105173547
[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81275428
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005

Frequently Asked Questions

What is the IUPAC name of [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine?
The IUPAC name of [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine (CID 43331838) is [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine is NC(c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)s1)C1CC1.
What is the InChIKey of [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine?
The InChIKey is QBQXHZSPJADTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NS/c16-11-4-3-9(7-10(11)15(17,18)19)12-5-6-13(21-12)14(20)8-1-2-8/h3-8,14H,1-2,20H2.
What are the key properties of [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine?
[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine has a molecular weight of 331.79 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine is sourced from PubChem (CID 43331838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).