1-fluoro-2-methyl-5-propan-2-yloxypentane

C9H19FO — CID 146385439

IUPAC1-fluoro-2-methyl-5-propan-2-yloxypentane
SMILESCC(CF)CCCOC(C)C
InChIInChI=1S/C9H19FO/c1-8(2)11-6-4-5-9(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyNKGBWRAYETVUED-UHFFFAOYSA-N
MW162.25 g/mol
LogP2.80
Rot. Bonds6

About 1-fluoro-2-methyl-5-propan-2-yloxypentane

1-fluoro-2-methyl-5-propan-2-yloxypentane (PubChem CID 146385439) has the molecular formula C9H19FO and a molecular weight of 162.25 g/mol. Its IUPAC name is 1-fluoro-2-methyl-5-propan-2-yloxypentane.

Molecular Properties

Compound Name1-fluoro-2-methyl-5-propan-2-yloxypentane
PubChem CID146385439
Molecular FormulaC9H19FO
Molecular Weight162.25 g/mol
Exact Mass162.14
IUPAC Name1-fluoro-2-methyl-5-propan-2-yloxypentane
SMILESCC(CF)CCCOC(C)C
InChIInChI=1S/C9H19FO/c1-8(2)11-6-4-5-9(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyNKGBWRAYETVUED-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.80
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

3,3-Difluoro-4-methyl-1-propan-2-yloxypentane
CID 129014358
Ethyl-2,2-dimethylethyl ether
CID 22151647
3-Butoxy-2-methylpentane
CID 23119414
2-(2-Methylbutoxy)-pentane
CID 53804169
Isobutylather
CID 54183651
2-Butoxy-4-methylpentane
CID 54354504
Isoamylather
CID 57176283
3-Fluoro-2-methyl-4-propan-2-yloxypentane
CID 58192505
3,3-Difluoro-2-methyl-4-propan-2-yloxypentane
CID 58192508
2-Fluoro-3-methyl-1-propan-2-yloxybutane
CID 58192516
1-(1,1-Difluoro-2-methylpropoxy)-4-methylpentane
CID 58422609
2-Fluoro-3-methoxy-4-methyl-1-(2-methylbutoxy)hexane
CID 59716083

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-5-propan-2-yloxypentane?
The IUPAC name of 1-fluoro-2-methyl-5-propan-2-yloxypentane (CID 146385439) is 1-fluoro-2-methyl-5-propan-2-yloxypentane.
What is the SMILES notation for 1-fluoro-2-methyl-5-propan-2-yloxypentane?
The canonical SMILES for 1-fluoro-2-methyl-5-propan-2-yloxypentane is CC(CF)CCCOC(C)C.
What is the InChIKey of 1-fluoro-2-methyl-5-propan-2-yloxypentane?
The InChIKey is NKGBWRAYETVUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO/c1-8(2)11-6-4-5-9(3)7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-fluoro-2-methyl-5-propan-2-yloxypentane?
1-fluoro-2-methyl-5-propan-2-yloxypentane has a molecular weight of 162.25 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-5-propan-2-yloxypentane is sourced from PubChem (CID 146385439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).