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

C9H7ClFIO — CID 130935602

IUPAC6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene
SMILESFc1c(Cl)ccc2c1C(I)CCO2
InChIInChI=1S/C9H7ClFIO/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6H,3-4H2
InChIKeyPBYUSSHMUBBOPY-UHFFFAOYSA-N
MW312.51 g/mol
LogP3.74
Rot. Bonds

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

6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene (PubChem CID 130935602) has the molecular formula C9H7ClFIO and a molecular weight of 312.51 g/mol. Its IUPAC name is 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene
PubChem CID130935602
Molecular FormulaC9H7ClFIO
Molecular Weight312.51 g/mol
Exact Mass311.92
IUPAC Name6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene
SMILESFc1c(Cl)ccc2c1C(I)CCO2
InChIInChI=1S/C9H7ClFIO/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6H,3-4H2
InChIKeyPBYUSSHMUBBOPY-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 71742120
5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene
CID 130848796
6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130792885
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene
CID 130774956
(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 130611343
(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130779709
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane
CID 155293758
7-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 169422658
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
CID 171252831

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene (CID 130935602) is 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene is Fc1c(Cl)ccc2c1C(I)CCO2.
What is the InChIKey of 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene?
The InChIKey is PBYUSSHMUBBOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFIO/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6H,3-4H2.
What are the key properties of 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene?
6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene has a molecular weight of 312.51 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene is sourced from PubChem (CID 130935602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).