2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane

C8H18FO2P — CID 574770

IUPAC2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane
SMILESCCP(=O)(F)OC(C)CC(C)C
InChIInChI=1S/C8H18FO2P/c1-5-12(9,10)11-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeySQBXQROFWNSVJO-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.62
Rot. Bonds5

About 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane

2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane (PubChem CID 574770) has the molecular formula C8H18FO2P and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane.

Molecular Properties

Compound Name2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane
PubChem CID574770
Molecular FormulaC8H18FO2P
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane
SMILESCCP(=O)(F)OC(C)CC(C)C
InChIInChI=1S/C8H18FO2P/c1-5-12(9,10)11-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeySQBXQROFWNSVJO-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.62
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-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
CID 600299
dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
CID 10241836
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22833363
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
azanium bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 163360675
1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
CID 574768
1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane
CID 574791
potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
CID 174996934
2,6-dimethylheptan-4-yl hydrogen phosphate
CID 21117595
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
CID 175158415
tributan-2-yl phosphate
CID 11482502

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane?
The IUPAC name of 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane (CID 574770) is 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane.
What is the SMILES notation for 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane?
The canonical SMILES for 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane is CCP(=O)(F)OC(C)CC(C)C.
What is the InChIKey of 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane?
The InChIKey is SQBXQROFWNSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO2P/c1-5-12(9,10)11-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane?
2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane has a molecular weight of 196.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane is sourced from PubChem (CID 574770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).