(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'}

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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).