1-chloro-2-cyclopropylcyclopropane

C6H9Cl — CID 71390898

IUPAC1-chloro-2-cyclopropylcyclopropane
SMILESClC1CC1C1CC1
InChIInChI=1S/C6H9Cl/c7-6-3-5(6)4-1-2-4/h4-6H,1-3H2
InChIKeyBXYMGBTVIBFTSZ-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.02
Rot. Bonds1

About 1-chloro-2-cyclopropylcyclopropane

1-chloro-2-cyclopropylcyclopropane (PubChem CID 71390898) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-chloro-2-cyclopropylcyclopropane.

Molecular Properties

Compound Name1-chloro-2-cyclopropylcyclopropane
PubChem CID71390898
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-chloro-2-cyclopropylcyclopropane
SMILESClC1CC1C1CC1
InChIInChI=1S/C6H9Cl/c7-6-3-5(6)4-1-2-4/h4-6H,1-3H2
InChIKeyBXYMGBTVIBFTSZ-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-2-cyclopropyl-1-fluorocyclopropane
CID 134853873
1-Chloro-1,1'-bi(cyclopropane)
CID 13512553
4-Chlorobutylcyclopropane
CID 23263314
1-Chloro-1-(2-fluorocyclopropyl)cyclopropane
CID 173650778
Tetrachlorobicyclo-propyl
CID 129743610
(1-Chloropropyl)cyclopropane
CID 13234844
3-Chloropropylcyclopropane
CID 20325118
cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618199
trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618404
(1-Chloropropan-2-YL)cyclopropane
CID 65919585
(1-Chlorobutan-2-YL)cyclopropane
CID 65921038

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-cyclopropylcyclopropane?
The IUPAC name of 1-chloro-2-cyclopropylcyclopropane (CID 71390898) is 1-chloro-2-cyclopropylcyclopropane.
What is the SMILES notation for 1-chloro-2-cyclopropylcyclopropane?
The canonical SMILES for 1-chloro-2-cyclopropylcyclopropane is ClC1CC1C1CC1.
What is the InChIKey of 1-chloro-2-cyclopropylcyclopropane?
The InChIKey is BXYMGBTVIBFTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c7-6-3-5(6)4-1-2-4/h4-6H,1-3H2.
What are the key properties of 1-chloro-2-cyclopropylcyclopropane?
1-chloro-2-cyclopropylcyclopropane has a molecular weight of 116.59 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-cyclopropylcyclopropane is sourced from PubChem (CID 71390898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).