1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one

C10H9ClF2N4O — CID 14551615

IUPAC1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one
SMILESO=c1n(CCCF)nnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C10H9ClF2N4O/c11-7-2-3-9(8(13)6-7)17-10(18)16(14-15-17)5-1-4-12/h2-3,6H,1,4-5H2
InChIKeyZXWRQDBTXGDWBA-UHFFFAOYSA-N
MW274.66 g/mol
LogP1.58
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one

1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one (PubChem CID 14551615) has the molecular formula C10H9ClF2N4O and a molecular weight of 274.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one
PubChem CID14551615
Molecular FormulaC10H9ClF2N4O
Molecular Weight274.66 g/mol
Exact Mass274.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one
SMILESO=c1n(CCCF)nnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C10H9ClF2N4O/c11-7-2-3-9(8(13)6-7)17-10(18)16(14-15-17)5-1-4-12/h2-3,6H,1,4-5H2
InChIKeyZXWRQDBTXGDWBA-UHFFFAOYSA-N
XLogP1.58
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one (CID 14551615) is 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one is O=c1n(CCCF)nnn1-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one?
The InChIKey is ZXWRQDBTXGDWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N4O/c11-7-2-3-9(8(13)6-7)17-10(18)16(14-15-17)5-1-4-12/h2-3,6H,1,4-5H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one?
1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one has a molecular weight of 274.66 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one is sourced from PubChem (CID 14551615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).