6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran

C10H13FO — CID 89247557

IUPAC6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran
SMILESCC1COC2=C(C=C(F)C2C)C1
InChIInChI=1S/C10H13FO/c1-6-3-8-4-9(11)7(2)10(8)12-5-6/h4,6-7H,3,5H2,1-2H3
InChIKeyPUHQEMWBYKKOCK-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.80
Rot. Bonds

About 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran

6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran (PubChem CID 89247557) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran
PubChem CID89247557
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran
SMILESCC1COC2=C(C=C(F)C2C)C1
InChIInChI=1S/C10H13FO/c1-6-3-8-4-9(11)7(2)10(8)12-5-6/h4,6-7H,3,5H2,1-2H3
InChIKeyPUHQEMWBYKKOCK-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran?
The IUPAC name of 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran (CID 89247557) is 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran.
What is the SMILES notation for 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran?
The canonical SMILES for 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran is CC1COC2=C(C=C(F)C2C)C1.
What is the InChIKey of 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran?
The InChIKey is PUHQEMWBYKKOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-6-3-8-4-9(11)7(2)10(8)12-5-6/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran?
6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran has a molecular weight of 168.21 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran is sourced from PubChem (CID 89247557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).