(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'}

Analyze (1R)-1-chloro-1,2-difluoro-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
1,2-dichloro-1,2-difluoro-3-methylbutane
CID 56617093
1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
CID 167651170
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
[(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium
CID 7152858
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
CID 119096846
carbanylium;2-chloro-1,1,1,2-tetrafluoroethane;2-fluoroprop-1-ene;hydrochloride
CID 162149218
chloro(difluoro)methane
CID 102425690
1,1,1-trifluoroethane
CID 91327996

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).