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

C10H13FO — CID 153361550

IUPAC6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1CCOC2=C1C=C(F)CC2
InChIInChI=1S/C10H13FO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h6-7H,2-5H2,1H3
InChIKeyLPEIQJGAXSEMOQ-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.94
Rot. Bonds

About 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene

6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 153361550) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene
PubChem CID153361550
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC1CCOC2=C1C=C(F)CC2
InChIInChI=1S/C10H13FO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h6-7H,2-5H2,1H3
InChIKeyLPEIQJGAXSEMOQ-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene (CID 153361550) is 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene is CC1CCOC2=C1C=C(F)CC2.
What is the InChIKey of 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is LPEIQJGAXSEMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h6-7H,2-5H2,1H3.
What are the key properties of 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene?
6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 168.21 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 153361550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).