1-chlorobutyl(ethyl)phosphinic acid

C6H14ClO2P — CID 174861261

IUPAC1-chlorobutyl(ethyl)phosphinic acid
SMILESCCCC(Cl)P(=O)(O)CC
InChIInChI=1S/C6H14ClO2P/c1-3-5-6(7)10(8,9)4-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyDJPVRWLHOLMOEV-UHFFFAOYSA-N
MW184.60 g/mol
LogP2.64
Rot. Bonds4

About 1-chlorobutyl(ethyl)phosphinic acid

1-chlorobutyl(ethyl)phosphinic acid (PubChem CID 174861261) has the molecular formula C6H14ClO2P and a molecular weight of 184.60 g/mol. Its IUPAC name is 1-chlorobutyl(ethyl)phosphinic acid.

Molecular Properties

Compound Name1-chlorobutyl(ethyl)phosphinic acid
PubChem CID174861261
Molecular FormulaC6H14ClO2P
Molecular Weight184.60 g/mol
Exact Mass184.04
IUPAC Name1-chlorobutyl(ethyl)phosphinic acid
SMILESCCCC(Cl)P(=O)(O)CC
InChIInChI=1S/C6H14ClO2P/c1-3-5-6(7)10(8,9)4-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyDJPVRWLHOLMOEV-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid
CID 124671863
5-chlorononane;phosphoric acid
CID 88768187
bis(butan-2-yl(ethyl)phosphinic acid);iron
CID 157342521
di(hexan-3-yl)phosphinic acid
CID 141467079
2-propylpentylphosphonic acid
CID 172756070
diheptan-4-yl hydrogen phosphate
CID 22497552
heptan-4-yl dihydrogen phosphate
CID 18763997
1-chloro-1-(1-chlorobutylsulfonyl)butane
CID 88536433
4-chlorooctylphosphonic acid
CID 87857502
2-chloroheptylphosphonic acid
CID 12601850
butane-1,1-diol;2-methylprop-2-enoic acid;phosphoric acid
CID 174683889
diethylphosphinic acid
CID 123698390

Frequently Asked Questions

What is the IUPAC name of 1-chlorobutyl(ethyl)phosphinic acid?
The IUPAC name of 1-chlorobutyl(ethyl)phosphinic acid (CID 174861261) is 1-chlorobutyl(ethyl)phosphinic acid.
What is the SMILES notation for 1-chlorobutyl(ethyl)phosphinic acid?
The canonical SMILES for 1-chlorobutyl(ethyl)phosphinic acid is CCCC(Cl)P(=O)(O)CC.
What is the InChIKey of 1-chlorobutyl(ethyl)phosphinic acid?
The InChIKey is DJPVRWLHOLMOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO2P/c1-3-5-6(7)10(8,9)4-2/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 1-chlorobutyl(ethyl)phosphinic acid?
1-chlorobutyl(ethyl)phosphinic acid has a molecular weight of 184.60 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobutyl(ethyl)phosphinic acid is sourced from PubChem (CID 174861261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).