(1R)-1-chloro-1,2-difluoro-2-methylpropane

C4H7ClF2 — CID 129383496

IUPAC(1R)-1-chloro-1,2-difluoro-2-methylpropane
SMILESCC(C)(F)[C@H](F)Cl
InChIInChI=1S/C4H7ClF2/c1-4(2,7)3(5)6/h3H,1-2H3/t3-/m0/s1
InChIKeyVEYVNHWIDVKACB-VKHMYHEASA-N
MW128.55 g/mol
LogP2.27
Rot. Bonds1

About (1R)-1-chloro-1,2-difluoro-2-methylpropane

(1R)-1-chloro-1,2-difluoro-2-methylpropane (PubChem CID 129383496) has the molecular formula C4H7ClF2 and a molecular weight of 128.55 g/mol. Its IUPAC name is (1R)-1-chloro-1,2-difluoro-2-methylpropane.

Molecular Properties

Compound Name(1R)-1-chloro-1,2-difluoro-2-methylpropane
PubChem CID129383496
Molecular FormulaC4H7ClF2
Molecular Weight128.55 g/mol
Exact Mass128.02
IUPAC Name(1R)-1-chloro-1,2-difluoro-2-methylpropane
SMILESCC(C)(F)[C@H](F)Cl
InChIInChI=1S/C4H7ClF2/c1-4(2,7)3(5)6/h3H,1-2H3/t3-/m0/s1
InChIKeyVEYVNHWIDVKACB-VKHMYHEASA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.55
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-chloro-1,2-difluoro-2-methylpropane?
The IUPAC name of (1R)-1-chloro-1,2-difluoro-2-methylpropane (CID 129383496) is (1R)-1-chloro-1,2-difluoro-2-methylpropane.
What is the SMILES notation for (1R)-1-chloro-1,2-difluoro-2-methylpropane?
The canonical SMILES for (1R)-1-chloro-1,2-difluoro-2-methylpropane is CC(C)(F)[C@H](F)Cl.
What is the InChIKey of (1R)-1-chloro-1,2-difluoro-2-methylpropane?
The InChIKey is VEYVNHWIDVKACB-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7ClF2/c1-4(2,7)3(5)6/h3H,1-2H3/t3-/m0/s1.
What are the key properties of (1R)-1-chloro-1,2-difluoro-2-methylpropane?
(1R)-1-chloro-1,2-difluoro-2-methylpropane has a molecular weight of 128.55 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-chloro-1,2-difluoro-2-methylpropane is sourced from PubChem (CID 129383496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).