2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

C7H10ClF3 — CID 121273988

IUPAC2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)CC1Cl
InChIInChI=1S/C7H10ClF3/c1-4(7(9,10)11)6(2)3-5(6)8/h4-5H,3H2,1-2H3
InChIKeyULTKLAIBQLGNFN-UHFFFAOYSA-N
MW186.60 g/mol
LogP3.20
Rot. Bonds1

About 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273988) has the molecular formula C7H10ClF3 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273988
Molecular FormulaC7H10ClF3
Molecular Weight186.60 g/mol
Exact Mass186.04
IUPAC Name2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)CC1Cl
InChIInChI=1S/C7H10ClF3/c1-4(7(9,10)11)6(2)3-5(6)8/h4-5H,3H2,1-2H3
InChIKeyULTKLAIBQLGNFN-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 53.20
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 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273988) is 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C(F)(F)F)C1(C)CC1Cl.
What is the InChIKey of 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is ULTKLAIBQLGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3/c1-4(7(9,10)11)6(2)3-5(6)8/h4-5H,3H2,1-2H3.
What are the key properties of 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 186.60 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).