5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole

C10H8ClFN4O — CID 177336440

IUPAC5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole
SMILESFc1c(Cl)cc2c(c1-c1nn[nH]n1)CCCO2
InChIInChI=1S/C10H8ClFN4O/c11-6-4-7-5(2-1-3-17-7)8(9(6)12)10-13-15-16-14-10/h4H,1-3H2,(H,13,14,15,16)
InChIKeyANGXOFWWYMWFTP-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.98
Rot. Bonds1

About 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole

5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole (PubChem CID 177336440) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole
PubChem CID177336440
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole
SMILESFc1c(Cl)cc2c(c1-c1nn[nH]n1)CCCO2
InChIInChI=1S/C10H8ClFN4O/c11-6-4-7-5(2-1-3-17-7)8(9(6)12)10-13-15-16-14-10/h4H,1-3H2,(H,13,14,15,16)
InChIKeyANGXOFWWYMWFTP-UHFFFAOYSA-N
XLogP1.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole?
The IUPAC name of 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole (CID 177336440) is 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole.
What is the SMILES notation for 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole?
The canonical SMILES for 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole is Fc1c(Cl)cc2c(c1-c1nn[nH]n1)CCCO2.
What is the InChIKey of 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole?
The InChIKey is ANGXOFWWYMWFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-6-4-7-5(2-1-3-17-7)8(9(6)12)10-13-15-16-14-10/h4H,1-3H2,(H,13,14,15,16).
What are the key properties of 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole?
5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole has a molecular weight of 254.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole is sourced from PubChem (CID 177336440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).