6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene

C15H21FO — CID 143057687

IUPAC6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene
SMILESCCCC(CC)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C15H21FO/c1-3-5-11(4-2)14-8-6-12-10-13(16)7-9-15(12)17-14/h7,9-11,14H,3-6,8H2,1-2H3
InChIKeyIKORVNBQVAFIRA-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.35
Rot. Bonds4

About 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene

6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene (PubChem CID 143057687) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene
PubChem CID143057687
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene
SMILESCCCC(CC)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C15H21FO/c1-3-5-11(4-2)14-8-6-12-10-13(16)7-9-15(12)17-14/h7,9-11,14H,3-6,8H2,1-2H3
InChIKeyIKORVNBQVAFIRA-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene (CID 143057687) is 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene is CCCC(CC)C1CCc2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene?
The InChIKey is IKORVNBQVAFIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-3-5-11(4-2)14-8-6-12-10-13(16)7-9-15(12)17-14/h7,9-11,14H,3-6,8H2,1-2H3.
What are the key properties of 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene?
6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene has a molecular weight of 236.33 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143057687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).