1-[chloro(methyl)phosphoryl]butane

C5H12ClOP — CID 14592594

IUPAC1-[chloro(methyl)phosphoryl]butane
SMILESCCCCP(C)(=O)Cl
InChIInChI=1S/C5H12ClOP/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3
InChIKeyTZDQMAGGDUVJLM-UHFFFAOYSA-N
MW154.58 g/mol
LogP2.93
Rot. Bonds3

About 1-[chloro(methyl)phosphoryl]butane

1-[chloro(methyl)phosphoryl]butane (PubChem CID 14592594) has the molecular formula C5H12ClOP and a molecular weight of 154.58 g/mol. Its IUPAC name is 1-[chloro(methyl)phosphoryl]butane.

Molecular Properties

Compound Name1-[chloro(methyl)phosphoryl]butane
PubChem CID14592594
Molecular FormulaC5H12ClOP
Molecular Weight154.58 g/mol
Exact Mass154.03
IUPAC Name1-[chloro(methyl)phosphoryl]butane
SMILESCCCCP(C)(=O)Cl
InChIInChI=1S/C5H12ClOP/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3
InChIKeyTZDQMAGGDUVJLM-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.58
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro(methyl)phosphoryl]tetradecane
CID 54104937
butyl(methyl)phosphinic acid
CID 10909622
CID 172720905
CID 172720905
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
butyl-dichloro-selanylidene-λ5-phosphane
CID 23415657
dibutyl-methyl-methylidene-λ5-phosphane
CID 59603144
butylphosphonic acid;neodymium
CID 134499527
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
dibutylphosphorylmethanol
CID 5219006
dibutylphosphorylformonitrile
CID 23514201
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methyl)phosphoryl]butane?
The IUPAC name of 1-[chloro(methyl)phosphoryl]butane (CID 14592594) is 1-[chloro(methyl)phosphoryl]butane.
What is the SMILES notation for 1-[chloro(methyl)phosphoryl]butane?
The canonical SMILES for 1-[chloro(methyl)phosphoryl]butane is CCCCP(C)(=O)Cl.
What is the InChIKey of 1-[chloro(methyl)phosphoryl]butane?
The InChIKey is TZDQMAGGDUVJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClOP/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3.
What are the key properties of 1-[chloro(methyl)phosphoryl]butane?
1-[chloro(methyl)phosphoryl]butane has a molecular weight of 154.58 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)phosphoryl]butane is sourced from PubChem (CID 14592594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).