cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

C15H13F4NS — CID 63037880

IUPACcyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESNC(c1ccc(-c2cc(C(F)(F)F)ccc2F)s1)C1CC1
InChIInChI=1S/C15H13F4NS/c16-11-4-3-9(15(17,18)19)7-10(11)12-5-6-13(21-12)14(20)8-1-2-8/h3-8,14H,1-2,20H2
InChIKeySANNHXDLYAVENW-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.98
Rot. Bonds3

About cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (PubChem CID 63037880) has the molecular formula C15H13F4NS and a molecular weight of 315.34 g/mol. Its IUPAC name is cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
PubChem CID63037880
Molecular FormulaC15H13F4NS
Molecular Weight315.34 g/mol
Exact Mass315.07
IUPAC Namecyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESNC(c1ccc(-c2cc(C(F)(F)F)ccc2F)s1)C1CC1
InChIInChI=1S/C15H13F4NS/c16-11-4-3-9(15(17,18)19)7-10(11)12-5-6-13(21-12)14(20)8-1-2-8/h3-8,14H,1-2,20H2
InChIKeySANNHXDLYAVENW-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The IUPAC name of cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (CID 63037880) is cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is NC(c1ccc(-c2cc(C(F)(F)F)ccc2F)s1)C1CC1.
What is the InChIKey of cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The InChIKey is SANNHXDLYAVENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NS/c16-11-4-3-9(15(17,18)19)7-10(11)12-5-6-13(21-12)14(20)8-1-2-8/h3-8,14H,1-2,20H2.
What are the key properties of cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine has a molecular weight of 315.34 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 63037880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).