1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene

C10H12F2 — CID 145389502

IUPAC1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene
SMILESFC1C=C2C=CCCC2C(F)C1
InChIInChI=1S/C10H12F2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1,3,5,8-10H,2,4,6H2
InChIKeyPQFSVOAWPZZYHN-UHFFFAOYSA-N
MW170.20 g/mol
LogP2.96
Rot. Bonds

About 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene

1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene (PubChem CID 145389502) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene.

Molecular Properties

Compound Name1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene
PubChem CID145389502
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene
SMILESFC1C=C2C=CCCC2C(F)C1
InChIInChI=1S/C10H12F2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1,3,5,8-10H,2,4,6H2
InChIKeyPQFSVOAWPZZYHN-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene?
The IUPAC name of 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene (CID 145389502) is 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene.
What is the SMILES notation for 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene?
The canonical SMILES for 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene is FC1C=C2C=CCCC2C(F)C1.
What is the InChIKey of 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene?
The InChIKey is PQFSVOAWPZZYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1,3,5,8-10H,2,4,6H2.
What are the key properties of 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene?
1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene has a molecular weight of 170.20 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene is sourced from PubChem (CID 145389502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).