(3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene

C9H8ClFO — CID 162403028

IUPAC(3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene
SMILESF[C@H]1COc2ccc(Cl)cc2C1
InChIInChI=1S/C9H8ClFO/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5H2/t8-/m1/s1
InChIKeyAADLTXACAKRNGA-MRVPVSSYSA-N
MW186.61 g/mol
LogP2.61
Rot. Bonds

About (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene

(3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene (PubChem CID 162403028) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene
PubChem CID162403028
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name(3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene
SMILESF[C@H]1COc2ccc(Cl)cc2C1
InChIInChI=1S/C9H8ClFO/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5H2/t8-/m1/s1
InChIKeyAADLTXACAKRNGA-MRVPVSSYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene?
The IUPAC name of (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene (CID 162403028) is (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene is F[C@H]1COc2ccc(Cl)cc2C1.
What is the InChIKey of (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene?
The InChIKey is AADLTXACAKRNGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClFO/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5H2/t8-/m1/s1.
What are the key properties of (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene?
(3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene has a molecular weight of 186.61 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-fluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 162403028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).