3-diethoxyphosphoryl-1,1-difluoropropan-2-amine

C7H16F2NO3P — CID 102408421

IUPAC3-diethoxyphosphoryl-1,1-difluoropropan-2-amine
SMILESCCOP(=O)(CC(N)C(F)F)OCC
InChIInChI=1S/C7H16F2NO3P/c1-3-12-14(11,13-4-2)5-6(10)7(8)9/h6-7H,3-5,10H2,1-2H3
InChIKeyYFEQRKCJOPIQLM-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.84
Rot. Bonds7

About 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine

3-diethoxyphosphoryl-1,1-difluoropropan-2-amine (PubChem CID 102408421) has the molecular formula C7H16F2NO3P and a molecular weight of 231.18 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1,1-difluoropropan-2-amine
PubChem CID102408421
Molecular FormulaC7H16F2NO3P
Molecular Weight231.18 g/mol
Exact Mass231.08
IUPAC Name3-diethoxyphosphoryl-1,1-difluoropropan-2-amine
SMILESCCOP(=O)(CC(N)C(F)F)OCC
InChIInChI=1S/C7H16F2NO3P/c1-3-12-14(11,13-4-2)5-6(10)7(8)9/h6-7H,3-5,10H2,1-2H3
InChIKeyYFEQRKCJOPIQLM-UHFFFAOYSA-N
XLogP1.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-1-methylsulfanylethanamine
CID 175798762
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine
CID 12749368
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine
CID 72796397
4-(diethoxyphosphorylmethyl)octane
CID 102507048
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine?
The IUPAC name of 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine (CID 102408421) is 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine is CCOP(=O)(CC(N)C(F)F)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine?
The InChIKey is YFEQRKCJOPIQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2NO3P/c1-3-12-14(11,13-4-2)5-6(10)7(8)9/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine?
3-diethoxyphosphoryl-1,1-difluoropropan-2-amine has a molecular weight of 231.18 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102408421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).