6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene

C10H9ClF2O — CID 130311725

IUPAC6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCc2cc(Cl)c(F)c(F)c2O1
InChIInChI=1S/C10H9ClF2O/c1-5-2-3-6-4-7(11)8(12)9(13)10(6)14-5/h4-5H,2-3H2,1H3
InChIKeyUZASOEZMQWGMGI-UHFFFAOYSA-N
MW218.63 g/mol
LogP3.33
Rot. Bonds

About 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene

6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 130311725) has the molecular formula C10H9ClF2O and a molecular weight of 218.63 g/mol. Its IUPAC name is 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
PubChem CID130311725
Molecular FormulaC10H9ClF2O
Molecular Weight218.63 g/mol
Exact Mass218.03
IUPAC Name6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCc2cc(Cl)c(F)c(F)c2O1
InChIInChI=1S/C10H9ClF2O/c1-5-2-3-6-4-7(11)8(12)9(13)10(6)14-5/h4-5H,2-3H2,1H3
InChIKeyUZASOEZMQWGMGI-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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
5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
1-(2-Bromoethoxy)-4-chloro-2-methylbenzene
CID 24707923
(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268974
6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268978
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272388
6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
CID 56655958
6-chloro-3-[3-(3-chlorophenyl)propyl]-3,4-dihydro-2H-chromene
CID 137640366
3-[3-(3-chlorophenyl)propyl]-3,4-dihydro-2H-chromene
CID 137654412
6-chloro-2-phenyl-2H-chromene
CID 11402251
3-benzyl-6-chloro-3,4-dihydro-2H-chromene
CID 45269837

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene (CID 130311725) is 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene is CC1CCc2cc(Cl)c(F)c(F)c2O1.
What is the InChIKey of 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is UZASOEZMQWGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O/c1-5-2-3-6-4-7(11)8(12)9(13)10(6)14-5/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 218.63 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 130311725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).