6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene

C11H17FO — CID 89247374

IUPAC6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene
SMILESCC1COC2CC(C)C(F)=CC2C1
InChIInChI=1S/C11H17FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyHYXVPUHAPWBEMF-UHFFFAOYSA-N
MW184.25 g/mol
LogP2.92
Rot. Bonds

About 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene

6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene (PubChem CID 89247374) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene
PubChem CID89247374
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene
SMILESCC1COC2CC(C)C(F)=CC2C1
InChIInChI=1S/C11H17FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyHYXVPUHAPWBEMF-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 52.92
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-3,4,4a,7,8,8a-hexahydro-2H-chromene?
The IUPAC name of 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene (CID 89247374) is 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene.
What is the SMILES notation for 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene?
The canonical SMILES for 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene is CC1COC2CC(C)C(F)=CC2C1.
What is the InChIKey of 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene?
The InChIKey is HYXVPUHAPWBEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene?
6-fluoro-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-chromene has a molecular weight of 184.25 g/mol, XLogP of 2.92, 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-3,4,4a,7,8,8a-hexahydro-2H-chromene is sourced from PubChem (CID 89247374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).