(1,2-difluoro-2-methoxy-3-methylbutyl)phosphane

C6H13F2OP — CID 170008422

IUPAC(1,2-difluoro-2-methoxy-3-methylbutyl)phosphane
SMILESCOC(F)(C(C)C)C(F)P
InChIInChI=1S/C6H13F2OP/c1-4(2)6(8,9-3)5(7)10/h4-5H,10H2,1-3H3
InChIKeyUUZWQQCIJHASQP-UHFFFAOYSA-N
MW170.14 g/mol
LogP2.13
Rot. Bonds3

About (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane

(1,2-difluoro-2-methoxy-3-methylbutyl)phosphane (PubChem CID 170008422) has the molecular formula C6H13F2OP and a molecular weight of 170.14 g/mol. Its IUPAC name is (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane.

Molecular Properties

Compound Name(1,2-difluoro-2-methoxy-3-methylbutyl)phosphane
PubChem CID170008422
Molecular FormulaC6H13F2OP
Molecular Weight170.14 g/mol
Exact Mass170.07
IUPAC Name(1,2-difluoro-2-methoxy-3-methylbutyl)phosphane
SMILESCOC(F)(C(C)C)C(F)P
InChIInChI=1S/C6H13F2OP/c1-4(2)6(8,9-3)5(7)10/h4-5H,10H2,1-3H3
InChIKeyUUZWQQCIJHASQP-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane?
The IUPAC name of (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane (CID 170008422) is (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane.
What is the SMILES notation for (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane?
The canonical SMILES for (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane is COC(F)(C(C)C)C(F)P.
What is the InChIKey of (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane?
The InChIKey is UUZWQQCIJHASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2OP/c1-4(2)6(8,9-3)5(7)10/h4-5H,10H2,1-3H3.
What are the key properties of (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane?
(1,2-difluoro-2-methoxy-3-methylbutyl)phosphane has a molecular weight of 170.14 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-difluoro-2-methoxy-3-methylbutyl)phosphane is sourced from PubChem (CID 170008422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).