7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene

C15H12ClFO — CID 144986904

IUPAC7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene
SMILESFc1ccc(Cl)c(-c2ccc3c(c2)OCCC3)c1
InChIInChI=1S/C15H12ClFO/c16-14-6-5-12(17)9-13(14)11-4-3-10-2-1-7-18-15(10)8-11/h3-6,8-9H,1-2,7H2
InChIKeyNFFVNOMUIMQBGM-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.47
Rot. Bonds1

About 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene

7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene (PubChem CID 144986904) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene
PubChem CID144986904
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene
SMILESFc1ccc(Cl)c(-c2ccc3c(c2)OCCC3)c1
InChIInChI=1S/C15H12ClFO/c16-14-6-5-12(17)9-13(14)11-4-3-10-2-1-7-18-15(10)8-11/h3-6,8-9H,1-2,7H2
InChIKeyNFFVNOMUIMQBGM-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene (CID 144986904) is 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene is Fc1ccc(Cl)c(-c2ccc3c(c2)OCCC3)c1.
What is the InChIKey of 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene?
The InChIKey is NFFVNOMUIMQBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-14-6-5-12(17)9-13(14)11-4-3-10-2-1-7-18-15(10)8-11/h3-6,8-9H,1-2,7H2.
What are the key properties of 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene?
7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene has a molecular weight of 262.71 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 144986904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).