1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane

C7H16FO2P — CID 567433

IUPAC1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
SMILESCCCC(C)COP(C)(=O)F
InChIInChI=1S/C7H16FO2P/c1-4-5-7(2)6-10-11(3,8)9/h7H,4-6H2,1-3H3
InChIKeyXHEQIFJOVPJLNW-UHFFFAOYSA-N
MW182.17 g/mol
LogP3.23
Rot. Bonds5

About 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane

1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane (PubChem CID 567433) has the molecular formula C7H16FO2P and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane.

Molecular Properties

Compound Name1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
PubChem CID567433
Molecular FormulaC7H16FO2P
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
SMILESCCCC(C)COP(C)(=O)F
InChIInChI=1S/C7H16FO2P/c1-4-5-7(2)6-10-11(3,8)9/h7H,4-6H2,1-3H3
InChIKeyXHEQIFJOVPJLNW-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
CID 566127
2-methylpentyl carbonofluoridate
CID 175528242
2-methylpentyl hypofluorite
CID 164530616
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
fluoro(2-methylbutoxy)phosphinic acid
CID 175014700
bis(2-methylpentoxy)-oxophosphanium
CID 20836442
2-methylpentyl bis(2-methylphenyl) phosphate
CID 154251425
7-methyldecyl dihydrogen phosphate
CID 19881894
4-methylheptane
CID 91413347
4-methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane?
The IUPAC name of 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane (CID 567433) is 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane.
What is the SMILES notation for 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane?
The canonical SMILES for 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane is CCCC(C)COP(C)(=O)F.
What is the InChIKey of 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane?
The InChIKey is XHEQIFJOVPJLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO2P/c1-4-5-7(2)6-10-11(3,8)9/h7H,4-6H2,1-3H3.
What are the key properties of 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane?
1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane has a molecular weight of 182.17 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane is sourced from PubChem (CID 567433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).