N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

C14H8ClF4N5 — CID 134815315

IUPACN-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFc1ccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C14H8ClF4N5/c15-11-7-9(4-5-12(11)16)20-13-21-22-23-24(13)10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H,20,21,23)
InChIKeyCCVGHJKYDWHGMN-UHFFFAOYSA-N
MW357.70 g/mol
LogP4.22
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (PubChem CID 134815315) has the molecular formula C14H8ClF4N5 and a molecular weight of 357.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
PubChem CID134815315
Molecular FormulaC14H8ClF4N5
Molecular Weight357.70 g/mol
Exact Mass357.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFc1ccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C14H8ClF4N5/c15-11-7-9(4-5-12(11)16)20-13-21-22-23-24(13)10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H,20,21,23)
InChIKeyCCVGHJKYDWHGMN-UHFFFAOYSA-N
XLogP4.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (CID 134815315) is N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is Fc1ccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The InChIKey is CCVGHJKYDWHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N5/c15-11-7-9(4-5-12(11)16)20-13-21-22-23-24(13)10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H,20,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine has a molecular weight of 357.70 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is sourced from PubChem (CID 134815315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).