(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane

C8H14Cl2 — CID 146435893

IUPAC(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
SMILESCC(C)[C@H](C)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C8H14Cl2/c1-5(2)6(3)7-4-8(7,9)10/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyFJYVVURRRFLXLD-NKWVEPMBSA-N
MW181.11 g/mol
LogP3.47
Rot. Bonds2

About (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane

(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane (PubChem CID 146435893) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane.

Molecular Properties

Compound Name(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
PubChem CID146435893
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Name(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
SMILESCC(C)[C@H](C)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C8H14Cl2/c1-5(2)6(3)7-4-8(7,9)10/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyFJYVVURRRFLXLD-NKWVEPMBSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane 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-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine
CID 90020083
(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride
CID 118207124
(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine
CID 125477604
2,2-dimethyl-3-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 164656547
1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
CID 131212065
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
CID 91175981
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
CID 104867595
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
(1R,4S,5R)-1,2,3,4,7,7-hexachloro-5-[(2R)-3,3-dimethylbutan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 10524118
(1R,2S,5R)-1-chloro-5-methyl-1-nitro-2-propan-2-ylcyclohexane
CID 11063945

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane?
The IUPAC name of (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane (CID 146435893) is (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane.
What is the SMILES notation for (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane?
The canonical SMILES for (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane is CC(C)[C@H](C)[C@H]1CC1(Cl)Cl.
What is the InChIKey of (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane?
The InChIKey is FJYVVURRRFLXLD-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14Cl2/c1-5(2)6(3)7-4-8(7,9)10/h5-7H,4H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane?
(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane has a molecular weight of 181.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane is sourced from PubChem (CID 146435893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).