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

C8H12ClF3 — CID 121273903

IUPAC2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1C(Cl)C1(C)C)C(F)(F)F
InChIInChI=1S/C8H12ClF3/c1-4(8(10,11)12)5-6(9)7(5,2)3/h4-6H,1-3H3
InChIKeyNNVCYIPHEXBIGY-UHFFFAOYSA-N
MW200.63 g/mol
LogP3.45
Rot. Bonds1

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

2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273903) has the molecular formula C8H12ClF3 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273903
Molecular FormulaC8H12ClF3
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1C(Cl)C1(C)C)C(F)(F)F
InChIInChI=1S/C8H12ClF3/c1-4(8(10,11)12)5-6(9)7(5,2)3/h4-6H,1-3H3
InChIKeyNNVCYIPHEXBIGY-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 53.45
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

2-(2-Chloroethyl)-1-methyl-1-(trifluoromethyl)cyclopropane
CID 117620493
2-(2-chloroethyl)-1-(trifluoromethyl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane
CID 117620504
2-(2-Chloroethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane
CID 117620678
1,1-Dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273904
1-(Chloromethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273917
1-(2-Chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273944
2-(2-Chloroethyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273973
2-Chloro-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273988
1,1-Dichloro-2,3-dimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273989
1,1,3-Trichloro-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273991
2-(Chloromethyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273995
3-Chloro-1,1,2-trimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273903) is 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C1C(Cl)C1(C)C)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is NNVCYIPHEXBIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3/c1-4(8(10,11)12)5-6(9)7(5,2)3/h4-6H,1-3H3.
What are the key properties of 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 200.63 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).