N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine

C14H15ClF3NS2 — CID 115517345

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClF3NS2/c15-12-6-5-11(21-12)13(10-4-3-9-20-10)19-8-2-1-7-14(16,17)18/h3-6,9,13,19H,1-2,7-8H2
InChIKeyWIQVNLCAVVUHAF-UHFFFAOYSA-N
MW353.86 g/mol
LogP5.87
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 115517345) has the molecular formula C14H15ClF3NS2 and a molecular weight of 353.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
PubChem CID115517345
Molecular FormulaC14H15ClF3NS2
Molecular Weight353.86 g/mol
Exact Mass353.03
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClF3NS2/c15-12-6-5-11(21-12)13(10-4-3-9-20-10)19-8-2-1-7-14(16,17)18/h3-6,9,13,19H,1-2,7-8H2
InChIKeyWIQVNLCAVVUHAF-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.86
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 62323529
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106895048
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
CID 43790408
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine (CID 115517345) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is WIQVNLCAVVUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NS2/c15-12-6-5-11(21-12)13(10-4-3-9-20-10)19-8-2-1-7-14(16,17)18/h3-6,9,13,19H,1-2,7-8H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 353.86 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115517345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).