6-chloro-7-fluoro-3,4-dihydro-2H-chromene

C9H8ClFO — CID 171787765

IUPAC6-chloro-7-fluoro-3,4-dihydro-2H-chromene
SMILESFc1cc2c(cc1Cl)CCCO2
InChIInChI=1S/C9H8ClFO/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5H,1-3H2
InChIKeyWWVSUIDPYRHGCT-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.80
Rot. Bonds

About 6-chloro-7-fluoro-3,4-dihydro-2H-chromene

6-chloro-7-fluoro-3,4-dihydro-2H-chromene (PubChem CID 171787765) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-7-fluoro-3,4-dihydro-2H-chromene
PubChem CID171787765
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name6-chloro-7-fluoro-3,4-dihydro-2H-chromene
SMILESFc1cc2c(cc1Cl)CCCO2
InChIInChI=1S/C9H8ClFO/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5H,1-3H2
InChIKeyWWVSUIDPYRHGCT-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
4-Chloro-2-methylanisole
CID 76748
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
1-Chloro-4-((4-iodobenzyl)oxy)benzene
CID 65489731
5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
1-(2-Bromoethoxy)-4-chloro-2-methylbenzene
CID 24707923
3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268104
(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268973
(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268974
6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268978
3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272387
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272388

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-7-fluoro-3,4-dihydro-2H-chromene (CID 171787765) is 6-chloro-7-fluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-7-fluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-7-fluoro-3,4-dihydro-2H-chromene is Fc1cc2c(cc1Cl)CCCO2.
What is the InChIKey of 6-chloro-7-fluoro-3,4-dihydro-2H-chromene?
The InChIKey is WWVSUIDPYRHGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5H,1-3H2.
What are the key properties of 6-chloro-7-fluoro-3,4-dihydro-2H-chromene?
6-chloro-7-fluoro-3,4-dihydro-2H-chromene has a molecular weight of 186.61 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 171787765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).