(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane

C5H8ClF3 — CID 126498580

IUPAC(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
SMILESCC([C@@H](C)Cl)C(F)(F)F
InChIInChI=1S/C5H8ClF3/c1-3(4(2)6)5(7,8)9/h3-4H,1-2H3/t3?,4-/m1/s1
InChIKeyVKKIQMNMYQXONK-SRBOSORUSA-N
MW160.57 g/mol
LogP2.81
Rot. Bonds1

About (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane

(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane (PubChem CID 126498580) has the molecular formula C5H8ClF3 and a molecular weight of 160.57 g/mol. Its IUPAC name is (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane.

Molecular Properties

Compound Name(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
PubChem CID126498580
Molecular FormulaC5H8ClF3
Molecular Weight160.57 g/mol
Exact Mass160.03
IUPAC Name(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
SMILESCC([C@@H](C)Cl)C(F)(F)F
InChIInChI=1S/C5H8ClF3/c1-3(4(2)6)5(7,8)9/h3-4H,1-2H3/t3?,4-/m1/s1
InChIKeyVKKIQMNMYQXONK-SRBOSORUSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane 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

1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
3-deuterio-1,1,1,5,5,5-hexafluoro-2,3,4-trimethylpentane
CID 169301185
(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
CID 23236245
1-amino-4,4,4-trifluoro-3-methylbutan-2-ol
CID 83905243
[(1S,2S)-1-chloro-3,3,3-trifluoro-2-methylpropyl]benzene
CID 129384644
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
CID 155394559
1-bromo-2-chloro-1,1-difluoropropane
CID 91578112
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
5,5,5-trifluoro-3,4-dimethylpent-1-ene
CID 162565604
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
CID 162578568

Frequently Asked Questions

What is the IUPAC name of (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane?
The IUPAC name of (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane (CID 126498580) is (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane.
What is the SMILES notation for (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane?
The canonical SMILES for (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane is CC([C@@H](C)Cl)C(F)(F)F.
What is the InChIKey of (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane?
The InChIKey is VKKIQMNMYQXONK-SRBOSORUSA-N. The full InChI is InChI=1S/C5H8ClF3/c1-3(4(2)6)5(7,8)9/h3-4H,1-2H3/t3?,4-/m1/s1.
What are the key properties of (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane?
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane has a molecular weight of 160.57 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-chloro-1,1,1-trifluoro-2-methylbutane is sourced from PubChem (CID 126498580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).