1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

C7H10ClF3 — CID 121273917

IUPAC1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1CC1CCl)C(F)(F)F
InChIInChI=1S/C7H10ClF3/c1-4(7(9,10)11)6-2-5(6)3-8/h4-6H,2-3H2,1H3
InChIKeyBBGGBCQAIPIDMX-UHFFFAOYSA-N
MW186.60 g/mol
LogP3.06
Rot. Bonds2

About 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273917) has the molecular formula C7H10ClF3 and a molecular weight of 186.60 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273917
Molecular FormulaC7H10ClF3
Molecular Weight186.60 g/mol
Exact Mass186.04
IUPAC Name1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1CC1CCl)C(F)(F)F
InChIInChI=1S/C7H10ClF3/c1-4(7(9,10)11)6-2-5(6)3-8/h4-6H,2-3H2,1H3
InChIKeyBBGGBCQAIPIDMX-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 53.06
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 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273917) is 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C1CC1CCl)C(F)(F)F.
What is the InChIKey of 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is BBGGBCQAIPIDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3/c1-4(7(9,10)11)6-2-5(6)3-8/h4-6H,2-3H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 186.60 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).