2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C16H29FO — CID 58719010

IUPAC2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCCC1CCC2CC(OCF)CCC2C1
InChIInChI=1S/C16H29FO/c1-2-3-4-5-13-6-7-15-11-16(18-12-17)9-8-14(15)10-13/h13-16H,2-12H2,1H3
InChIKeyQVWISNFDVRUEII-UHFFFAOYSA-N
MW256.40 g/mol
LogP5.10
Rot. Bonds6

About 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 58719010) has the molecular formula C16H29FO and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID58719010
Molecular FormulaC16H29FO
Molecular Weight256.40 g/mol
Exact Mass256.22
IUPAC Name2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCCC1CCC2CC(OCF)CCC2C1
InChIInChI=1S/C16H29FO/c1-2-3-4-5-13-6-7-15-11-16(18-12-17)9-8-14(15)10-13/h13-16H,2-12H2,1H3
InChIKeyQVWISNFDVRUEII-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 58719010) is 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCCCC1CCC2CC(OCF)CCC2C1.
What is the InChIKey of 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is QVWISNFDVRUEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO/c1-2-3-4-5-13-6-7-15-11-16(18-12-17)9-8-14(15)10-13/h13-16H,2-12H2,1H3.
What are the key properties of 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 256.40 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 58719010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).