(2R)-1-diethoxyphosphoryl-2-fluorohexane

C10H22FO3P — CID 125470992

IUPAC(2R)-1-diethoxyphosphoryl-2-fluorohexane
SMILESCCCC[C@@H](F)CP(=O)(OCC)OCC
InChIInChI=1S/C10H22FO3P/c1-4-7-8-10(11)9-15(12,13-5-2)14-6-3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyBSOSEDIRHKIWKV-SNVBAGLBSA-N
MW240.25 g/mol
LogP3.78
Rot. Bonds9

About (2R)-1-diethoxyphosphoryl-2-fluorohexane

(2R)-1-diethoxyphosphoryl-2-fluorohexane (PubChem CID 125470992) has the molecular formula C10H22FO3P and a molecular weight of 240.25 g/mol. Its IUPAC name is (2R)-1-diethoxyphosphoryl-2-fluorohexane.

Molecular Properties

Compound Name(2R)-1-diethoxyphosphoryl-2-fluorohexane
PubChem CID125470992
Molecular FormulaC10H22FO3P
Molecular Weight240.25 g/mol
Exact Mass240.13
IUPAC Name(2R)-1-diethoxyphosphoryl-2-fluorohexane
SMILESCCCC[C@@H](F)CP(=O)(OCC)OCC
InChIInChI=1S/C10H22FO3P/c1-4-7-8-10(11)9-15(12,13-5-2)14-6-3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyBSOSEDIRHKIWKV-SNVBAGLBSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(diethoxyphosphorylmethyl)octane
CID 102507048
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
1-diethoxyphosphoryldodecan-2-ol
CID 10448817
1-diethoxyphosphorylheptan-2-ylazanium chloride
CID 134863072
5-fluorononane
CID 14113820
3-diethoxyphosphoryl-1,1-difluoropropan-2-amine
CID 102408421
(3S)-1,3-difluoroheptane
CID 148515317
1-diethoxyphosphoryl-1-fluoro-3-iodoheptane
CID 86198572
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299

Frequently Asked Questions

What is the IUPAC name of (2R)-1-diethoxyphosphoryl-2-fluorohexane?
The IUPAC name of (2R)-1-diethoxyphosphoryl-2-fluorohexane (CID 125470992) is (2R)-1-diethoxyphosphoryl-2-fluorohexane.
What is the SMILES notation for (2R)-1-diethoxyphosphoryl-2-fluorohexane?
The canonical SMILES for (2R)-1-diethoxyphosphoryl-2-fluorohexane is CCCC[C@@H](F)CP(=O)(OCC)OCC.
What is the InChIKey of (2R)-1-diethoxyphosphoryl-2-fluorohexane?
The InChIKey is BSOSEDIRHKIWKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22FO3P/c1-4-7-8-10(11)9-15(12,13-5-2)14-6-3/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-diethoxyphosphoryl-2-fluorohexane?
(2R)-1-diethoxyphosphoryl-2-fluorohexane has a molecular weight of 240.25 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-diethoxyphosphoryl-2-fluorohexane is sourced from PubChem (CID 125470992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).