2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C17H15F4N5 — CID 142467963

IUPAC2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F4N5/c18-10-3-11-26-24-16(23-25-26)14-4-1-2-5-15(14)22-13-8-6-12(7-9-13)17(19,20)21/h1-2,4-9,22H,3,10-11H2
InChIKeyRLGWLJOYWFHRDR-UHFFFAOYSA-N
MW365.33 g/mol
LogP4.46
Rot. Bonds6

About 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 142467963) has the molecular formula C17H15F4N5 and a molecular weight of 365.33 g/mol. Its IUPAC name is 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID142467963
Molecular FormulaC17H15F4N5
Molecular Weight365.33 g/mol
Exact Mass365.13
IUPAC Name2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H15F4N5/c18-10-3-11-26-24-16(23-25-26)14-4-1-2-5-15(14)22-13-8-6-12(7-9-13)17(19,20)21/h1-2,4-9,22H,3,10-11H2
InChIKeyRLGWLJOYWFHRDR-UHFFFAOYSA-N
XLogP4.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 142467963) is 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is FCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is RLGWLJOYWFHRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5/c18-10-3-11-26-24-16(23-25-26)14-4-1-2-5-15(14)22-13-8-6-12(7-9-13)17(19,20)21/h1-2,4-9,22H,3,10-11H2.
What are the key properties of 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 365.33 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 142467963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).