2-chloroethyl(propan-2-yloxy)phosphinic acid

C5H12ClO3P — CID 14880432

IUPAC2-chloroethyl(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)CCCl
InChIInChI=1S/C5H12ClO3P/c1-5(2)9-10(7,8)4-3-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyWEGWVXVYQNLGGT-UHFFFAOYSA-N
MW186.57 g/mol
LogP1.84
Rot. Bonds4

About 2-chloroethyl(propan-2-yloxy)phosphinic acid

2-chloroethyl(propan-2-yloxy)phosphinic acid (PubChem CID 14880432) has the molecular formula C5H12ClO3P and a molecular weight of 186.57 g/mol. Its IUPAC name is 2-chloroethyl(propan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name2-chloroethyl(propan-2-yloxy)phosphinic acid
PubChem CID14880432
Molecular FormulaC5H12ClO3P
Molecular Weight186.57 g/mol
Exact Mass186.02
IUPAC Name2-chloroethyl(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)CCCl
InChIInChI=1S/C5H12ClO3P/c1-5(2)9-10(7,8)4-3-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyWEGWVXVYQNLGGT-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.57
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (2-chloroethyl)phosphonate
CID 25250
Phosphonic acid, (2-chloroethyl)-, monoethyl ester
CID 211662
Diethyl P-(1-chloroethyl)phosphonate
CID 11830457
Ethyl 1-(2-chloroethyl)-methylphosphinate
CID 86691708
(2-Chloro-1-fluoroethyl)-propan-2-ylperoxyphosphinic acid
CID 172740863
Diisopropyl-(2-chloroethyl)-phosphonate
CID 2773757
O,O-diisopropyl (3-chloropropyl)phosphonate
CID 9124920
(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol
CID 56958446
Dipropan-2-yl (1,2-dichloroethyl)phosphonate
CID 71369544
Ethyl (3-chloro-2-hydroxypropyl)(methyl)phosphinate
CID 85099777
1-Chloropropyl-ethoxy-oxophosphanium
CID 85703785
(1S,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol
CID 101553029

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl(propan-2-yloxy)phosphinic acid?
The IUPAC name of 2-chloroethyl(propan-2-yloxy)phosphinic acid (CID 14880432) is 2-chloroethyl(propan-2-yloxy)phosphinic acid.
What is the SMILES notation for 2-chloroethyl(propan-2-yloxy)phosphinic acid?
The canonical SMILES for 2-chloroethyl(propan-2-yloxy)phosphinic acid is CC(C)OP(=O)(O)CCCl.
What is the InChIKey of 2-chloroethyl(propan-2-yloxy)phosphinic acid?
The InChIKey is WEGWVXVYQNLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO3P/c1-5(2)9-10(7,8)4-3-6/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-chloroethyl(propan-2-yloxy)phosphinic acid?
2-chloroethyl(propan-2-yloxy)phosphinic acid has a molecular weight of 186.57 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(propan-2-yloxy)phosphinic acid is sourced from PubChem (CID 14880432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).