5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole

C17H14F2N4 — CID 14423939

IUPAC5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole
SMILESCC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1C
InChIInChI=1S/C17H14F2N4/c1-11(17-20-21-22-23(17)2)16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10H,1-2H3
InChIKeyUMMDYIPYZBXCET-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.47
Rot. Bonds3

About 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole

5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole (PubChem CID 14423939) has the molecular formula C17H14F2N4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole
PubChem CID14423939
Molecular FormulaC17H14F2N4
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole
SMILESCC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1C
InChIInChI=1S/C17H14F2N4/c1-11(17-20-21-22-23(17)2)16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10H,1-2H3
InChIKeyUMMDYIPYZBXCET-UHFFFAOYSA-N
XLogP3.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-enoyl chloride
CID 14539525
(4R,6S)-6-[4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one
CID 54393767
(5S)-9,9-bis(4-fluorophenyl)-5-hydroxy-8-(1-methyltetrazol-5-yl)-3-oxonona-6,8-dienoic acid
CID 150545991
(3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid
CID 6540658
12,12-bis(4-fluorophenyl)-4,6-dihydroxy-11-(1-methyltetrazol-5-yl)dodeca-7,9,11-trienoic acid
CID 172718842
benzyl (6E)-9,9-bis(4-fluorophenyl)-3-hydroxy-8-(1-methyltetrazol-5-yl)-5-oxonona-6,8-dienoate
CID 14723865
4-(1-ethyltetrazol-5-yl)-5,5-bis(4-fluorophenyl)penta-2,4-dienal
CID 54555804
2-(4-fluoro-2-methylphenyl)-4-(1-methyltetrazol-5-yl)penta-2,4-dienal
CID 139714652
3,3-bis(4-fluorophenyl)-2-[1-(2-methoxyethoxymethoxy)tetrazol-5-yl]prop-2-enal
CID 19986240
1-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylethanone
CID 3212925
1-(4-fluorophenyl)tetrazole-5-carboxylic acid
CID 83883582
5-fluoro-1-methyltetrazole
CID 69031674

Frequently Asked Questions

What is the IUPAC name of 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole?
The IUPAC name of 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole (CID 14423939) is 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole.
What is the SMILES notation for 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole?
The canonical SMILES for 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole is CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1C.
What is the InChIKey of 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole?
The InChIKey is UMMDYIPYZBXCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4/c1-11(17-20-21-22-23(17)2)16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10H,1-2H3.
What are the key properties of 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole?
5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole has a molecular weight of 312.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-1-methyltetrazole is sourced from PubChem (CID 14423939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).