7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

C12H21F — CID 22156449

IUPAC7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCC1(C)C(F)CCC2CCCCC21
InChIInChI=1S/C12H21F/c1-12(2)10-6-4-3-5-9(10)7-8-11(12)13/h9-11H,3-8H2,1-2H3
InChIKeyRPHPRKNNXOTIRH-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.95
Rot. Bonds

About 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (PubChem CID 22156449) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
PubChem CID22156449
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCC1(C)C(F)CCC2CCCCC21
InChIInChI=1S/C12H21F/c1-12(2)10-6-4-3-5-9(10)7-8-11(12)13/h9-11H,3-8H2,1-2H3
InChIKeyRPHPRKNNXOTIRH-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The IUPAC name of 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (CID 22156449) is 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.
What is the SMILES notation for 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The canonical SMILES for 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is CC1(C)C(F)CCC2CCCCC21.
What is the InChIKey of 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The InChIKey is RPHPRKNNXOTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F/c1-12(2)10-6-4-3-5-9(10)7-8-11(12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene has a molecular weight of 184.30 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 22156449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).