difluoro hydrogen phosphate;3-ethylpentan-3-amine

C7H18F2NO4P — CID 175262518

IUPACdifluoro hydrogen phosphate;3-ethylpentan-3-amine
SMILESCCC(N)(CC)CC.O=P(O)(OF)OF
InChIInChI=1S/C7H17N.F2HO4P/c1-4-7(8,5-2)6-3;1-5-7(3,4)6-2/h4-6,8H2,1-3H3;(H,3,4)
InChIKeySCYPNPVILUECPX-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.80
Rot. Bonds5

About difluoro hydrogen phosphate;3-ethylpentan-3-amine

difluoro hydrogen phosphate;3-ethylpentan-3-amine (PubChem CID 175262518) has the molecular formula C7H18F2NO4P and a molecular weight of 249.19 g/mol. Its IUPAC name is difluoro hydrogen phosphate;3-ethylpentan-3-amine.

Molecular Properties

Compound Namedifluoro hydrogen phosphate;3-ethylpentan-3-amine
PubChem CID175262518
Molecular FormulaC7H18F2NO4P
Molecular Weight249.19 g/mol
Exact Mass249.09
IUPAC Namedifluoro hydrogen phosphate;3-ethylpentan-3-amine
SMILESCCC(N)(CC)CC.O=P(O)(OF)OF
InChIInChI=1S/C7H17N.F2HO4P/c1-4-7(8,5-2)6-3;1-5-7(3,4)6-2/h4-6,8H2,1-3H3;(H,3,4)
InChIKeySCYPNPVILUECPX-UHFFFAOYSA-N
XLogP2.80
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze difluoro hydrogen phosphate;3-ethylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
fluoro methyl hydrogen phosphate
CID 87128109
1,2-difluoroethene;ethyl fluoro hydrogen phosphate
CID 175133169
3-ethylpentan-3-amine;sulfane;tungsten
CID 11450352
3-ethylpentan-3-amine;phosphane;hexahydrofluoride
CID 173156412
2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate
CID 175130665
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
[fluorooxy(hydroxy)phosphoryl] acetate
CID 54246379
fluoro propan-2-yl hydrogen phosphate
CID 22590861
bromo fluoro hydrogen phosphate
CID 174047934
2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine
CID 88828638
(1-ethylcyclohexyl) fluoro hydrogen phosphate
CID 175012184

Frequently Asked Questions

What is the IUPAC name of difluoro hydrogen phosphate;3-ethylpentan-3-amine?
The IUPAC name of difluoro hydrogen phosphate;3-ethylpentan-3-amine (CID 175262518) is difluoro hydrogen phosphate;3-ethylpentan-3-amine.
What is the SMILES notation for difluoro hydrogen phosphate;3-ethylpentan-3-amine?
The canonical SMILES for difluoro hydrogen phosphate;3-ethylpentan-3-amine is CCC(N)(CC)CC.O=P(O)(OF)OF.
What is the InChIKey of difluoro hydrogen phosphate;3-ethylpentan-3-amine?
The InChIKey is SCYPNPVILUECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.F2HO4P/c1-4-7(8,5-2)6-3;1-5-7(3,4)6-2/h4-6,8H2,1-3H3;(H,3,4).
What are the key properties of difluoro hydrogen phosphate;3-ethylpentan-3-amine?
difluoro hydrogen phosphate;3-ethylpentan-3-amine has a molecular weight of 249.19 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro hydrogen phosphate;3-ethylpentan-3-amine is sourced from PubChem (CID 175262518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).