5-butan-2-yloxy-1-fluoro-2-methylpentane

C10H21FO — CID 167134748

IUPAC5-butan-2-yloxy-1-fluoro-2-methylpentane
SMILESCCC(C)OCCCC(C)CF
InChIInChI=1S/C10H21FO/c1-4-10(3)12-7-5-6-9(2)8-11/h9-10H,4-8H2,1-3H3
InChIKeyRPUONWDYHVNHHE-UHFFFAOYSA-N
MW176.27 g/mol
LogP3.19
Rot. Bonds7

About 5-butan-2-yloxy-1-fluoro-2-methylpentane

5-butan-2-yloxy-1-fluoro-2-methylpentane (PubChem CID 167134748) has the molecular formula C10H21FO and a molecular weight of 176.27 g/mol. Its IUPAC name is 5-butan-2-yloxy-1-fluoro-2-methylpentane.

Molecular Properties

Compound Name5-butan-2-yloxy-1-fluoro-2-methylpentane
PubChem CID167134748
Molecular FormulaC10H21FO
Molecular Weight176.27 g/mol
Exact Mass176.16
IUPAC Name5-butan-2-yloxy-1-fluoro-2-methylpentane
SMILESCCC(C)OCCCC(C)CF
InChIInChI=1S/C10H21FO/c1-4-10(3)12-7-5-6-9(2)8-11/h9-10H,4-8H2,1-3H3
InChIKeyRPUONWDYHVNHHE-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 53.19
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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Related Compounds

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CID 54183651
CID 54354504
CID 54354504
CID 57176283
CID 57176283
CID 58192505
CID 58192505
CID 58192508
CID 58192508
CID 58192516
CID 58192516
CID 58422609
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CID 59716083
CID 59716083

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-1-fluoro-2-methylpentane?
The IUPAC name of 5-butan-2-yloxy-1-fluoro-2-methylpentane (CID 167134748) is 5-butan-2-yloxy-1-fluoro-2-methylpentane.
What is the SMILES notation for 5-butan-2-yloxy-1-fluoro-2-methylpentane?
The canonical SMILES for 5-butan-2-yloxy-1-fluoro-2-methylpentane is CCC(C)OCCCC(C)CF.
What is the InChIKey of 5-butan-2-yloxy-1-fluoro-2-methylpentane?
The InChIKey is RPUONWDYHVNHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO/c1-4-10(3)12-7-5-6-9(2)8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yloxy-1-fluoro-2-methylpentane?
5-butan-2-yloxy-1-fluoro-2-methylpentane has a molecular weight of 176.27 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-1-fluoro-2-methylpentane is sourced from PubChem (CID 167134748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).