butan-2-yl(dichloro)phosphane

C4H9Cl2P — CID 13347198

IUPACbutan-2-yl(dichloro)phosphane
SMILESCCC(C)P(Cl)Cl
InChIInChI=1S/C4H9Cl2P/c1-3-4(2)7(5)6/h4H,3H2,1-2H3
InChIKeyWNXJFXHDXVNWFN-UHFFFAOYSA-N
MW159.00 g/mol
LogP3.57
Rot. Bonds2

About butan-2-yl(dichloro)phosphane

butan-2-yl(dichloro)phosphane (PubChem CID 13347198) has the molecular formula C4H9Cl2P and a molecular weight of 159.00 g/mol. Its IUPAC name is butan-2-yl(dichloro)phosphane.

Molecular Properties

Compound Namebutan-2-yl(dichloro)phosphane
PubChem CID13347198
Molecular FormulaC4H9Cl2P
Molecular Weight159.00 g/mol
Exact Mass157.98
IUPAC Namebutan-2-yl(dichloro)phosphane
SMILESCCC(C)P(Cl)Cl
InChIInChI=1S/C4H9Cl2P/c1-3-4(2)7(5)6/h4H,3H2,1-2H3
InChIKeyWNXJFXHDXVNWFN-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.00
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl(dichloro)phosphane?
The IUPAC name of butan-2-yl(dichloro)phosphane (CID 13347198) is butan-2-yl(dichloro)phosphane.
What is the SMILES notation for butan-2-yl(dichloro)phosphane?
The canonical SMILES for butan-2-yl(dichloro)phosphane is CCC(C)P(Cl)Cl.
What is the InChIKey of butan-2-yl(dichloro)phosphane?
The InChIKey is WNXJFXHDXVNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2P/c1-3-4(2)7(5)6/h4H,3H2,1-2H3.
What are the key properties of butan-2-yl(dichloro)phosphane?
butan-2-yl(dichloro)phosphane has a molecular weight of 159.00 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(dichloro)phosphane is sourced from PubChem (CID 13347198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).