3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

C9H14ClF3 — CID 121274002

IUPAC3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)C(Cl)C1(C)C
InChIInChI=1S/C9H14ClF3/c1-5(9(11,12)13)8(4)6(10)7(8,2)3/h5-6H,1-4H3
InChIKeyXYUPRLPDEJMEHT-UHFFFAOYSA-N
MW214.66 g/mol
LogP3.84
Rot. Bonds1

About 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121274002) has the molecular formula C9H14ClF3 and a molecular weight of 214.66 g/mol. Its IUPAC name is 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121274002
Molecular FormulaC9H14ClF3
Molecular Weight214.66 g/mol
Exact Mass214.07
IUPAC Name3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)C(Cl)C1(C)C
InChIInChI=1S/C9H14ClF3/c1-5(9(11,12)13)8(4)6(10)7(8,2)3/h5-6H,1-4H3
InChIKeyXYUPRLPDEJMEHT-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 53.84
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 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121274002) is 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C(F)(F)F)C1(C)C(Cl)C1(C)C.
What is the InChIKey of 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is XYUPRLPDEJMEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3/c1-5(9(11,12)13)8(4)6(10)7(8,2)3/h5-6H,1-4H3.
What are the key properties of 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 214.66 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121274002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).