fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate

C14H21FO2 — CID 144643280

IUPACfluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate
SMILESC[C@H](CC(=O)OF)C1=CCC2CCCCC12C
InChIInChI=1S/C14H21FO2/c1-10(9-13(16)17-15)12-7-6-11-5-3-4-8-14(11,12)2/h7,10-11H,3-6,8-9H2,1-2H3/t10-,11?,14?/m1/s1
InChIKeyFDAIWVYVOICEAD-CDWSIMAYSA-N
MW240.32 g/mol
LogP3.97
Rot. Bonds3

About fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate

fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate (PubChem CID 144643280) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate.

Molecular Properties

Compound Namefluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate
PubChem CID144643280
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Namefluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate
SMILESC[C@H](CC(=O)OF)C1=CCC2CCCCC12C
InChIInChI=1S/C14H21FO2/c1-10(9-13(16)17-15)12-7-6-11-5-3-4-8-14(11,12)2/h7,10-11H,3-6,8-9H2,1-2H3/t10-,11?,14?/m1/s1
InChIKeyFDAIWVYVOICEAD-CDWSIMAYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate?
The IUPAC name of fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate (CID 144643280) is fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate.
What is the SMILES notation for fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate?
The canonical SMILES for fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate is C[C@H](CC(=O)OF)C1=CCC2CCCCC12C.
What is the InChIKey of fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate?
The InChIKey is FDAIWVYVOICEAD-CDWSIMAYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-10(9-13(16)17-15)12-7-6-11-5-3-4-8-14(11,12)2/h7,10-11H,3-6,8-9H2,1-2H3/t10-,11?,14?/m1/s1.
What are the key properties of fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate?
fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate has a molecular weight of 240.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (3R)-3-(7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)butanoate is sourced from PubChem (CID 144643280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).