7-fluoro-3,4,7,8-tetrahydro-2H-chromene

C9H11FO — CID 129210684

IUPAC7-fluoro-3,4,7,8-tetrahydro-2H-chromene
SMILESFC1C=CC2=C(C1)OCCC2
InChIInChI=1S/C9H11FO/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,8H,1-2,5-6H2
InChIKeyVPGBJQUWQZVJHF-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.35
Rot. Bonds

About 7-fluoro-3,4,7,8-tetrahydro-2H-chromene

7-fluoro-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 129210684) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 7-fluoro-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name7-fluoro-3,4,7,8-tetrahydro-2H-chromene
PubChem CID129210684
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name7-fluoro-3,4,7,8-tetrahydro-2H-chromene
SMILESFC1C=CC2=C(C1)OCCC2
InChIInChI=1S/C9H11FO/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,8H,1-2,5-6H2
InChIKeyVPGBJQUWQZVJHF-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of 7-fluoro-3,4,7,8-tetrahydro-2H-chromene (CID 129210684) is 7-fluoro-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for 7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for 7-fluoro-3,4,7,8-tetrahydro-2H-chromene is FC1C=CC2=C(C1)OCCC2.
What is the InChIKey of 7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is VPGBJQUWQZVJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,8H,1-2,5-6H2.
What are the key properties of 7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
7-fluoro-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 154.18 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 129210684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).