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

C10H8ClFO2 — CID 177336626

IUPAC7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde
SMILESO=Cc1c(F)c(Cl)cc2c1CCCO2
InChIInChI=1S/C10H8ClFO2/c11-8-4-9-6(2-1-3-14-9)7(5-13)10(8)12/h4-5H,1-3H2
InChIKeyNTYKDWCAWGQANX-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.62
Rot. Bonds1

About 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde

7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde (PubChem CID 177336626) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde.

Molecular Properties

Compound Name7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde
PubChem CID177336626
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde
SMILESO=Cc1c(F)c(Cl)cc2c1CCCO2
InChIInChI=1S/C10H8ClFO2/c11-8-4-9-6(2-1-3-14-9)7(5-13)10(8)12/h4-5H,1-3H2
InChIKeyNTYKDWCAWGQANX-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde?
The IUPAC name of 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde (CID 177336626) is 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde.
What is the SMILES notation for 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde?
The canonical SMILES for 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde is O=Cc1c(F)c(Cl)cc2c1CCCO2.
What is the InChIKey of 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde?
The InChIKey is NTYKDWCAWGQANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO2/c11-8-4-9-6(2-1-3-14-9)7(5-13)10(8)12/h4-5H,1-3H2.
What are the key properties of 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde?
7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde has a molecular weight of 214.62 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-3,4-dihydro-2H-chromene-5-carbaldehyde is sourced from PubChem (CID 177336626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).