cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine

C14H12F3NS — CID 55119222

IUPACcyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine
SMILESNC(c1ccc(-c2cc(F)c(F)c(F)c2)s1)C1CC1
InChIInChI=1S/C14H12F3NS/c15-9-5-8(6-10(16)13(9)17)11-3-4-12(19-11)14(18)7-1-2-7/h3-7,14H,1-2,18H2
InChIKeyIRDZNFMMLCACBS-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.24
Rot. Bonds3

About cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine

cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine (PubChem CID 55119222) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine
PubChem CID55119222
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Namecyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine
SMILESNC(c1ccc(-c2cc(F)c(F)c(F)c2)s1)C1CC1
InChIInChI=1S/C14H12F3NS/c15-9-5-8(6-10(16)13(9)17)11-3-4-12(19-11)14(18)7-1-2-7/h3-7,14H,1-2,18H2
InChIKeyIRDZNFMMLCACBS-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine (CID 55119222) is cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine is NC(c1ccc(-c2cc(F)c(F)c(F)c2)s1)C1CC1.
What is the InChIKey of cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine?
The InChIKey is IRDZNFMMLCACBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c15-9-5-8(6-10(16)13(9)17)11-3-4-12(19-11)14(18)7-1-2-7/h3-7,14H,1-2,18H2.
What are the key properties of cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine?
cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine has a molecular weight of 283.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 55119222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).