5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene

C10H10ClFO — CID 71016316

IUPAC5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(F)c2c(c1Cl)CCCO2
InChIInChI=1S/C10H10ClFO/c1-6-5-8(12)10-7(9(6)11)3-2-4-13-10/h5H,2-4H2,1H3
InChIKeyNQENZYSPDKSBML-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.11
Rot. Bonds

About 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene

5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene (PubChem CID 71016316) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene
PubChem CID71016316
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(F)c2c(c1Cl)CCCO2
InChIInChI=1S/C10H10ClFO/c1-6-5-8(12)10-7(9(6)11)3-2-4-13-10/h5H,2-4H2,1H3
InChIKeyNQENZYSPDKSBML-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene (CID 71016316) is 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene is Cc1cc(F)c2c(c1Cl)CCCO2.
What is the InChIKey of 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene?
The InChIKey is NQENZYSPDKSBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-6-5-8(12)10-7(9(6)11)3-2-4-13-10/h5H,2-4H2,1H3.
What are the key properties of 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene?
5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene has a molecular weight of 200.64 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71016316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).