carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane

C6H7Cl2F3O3 — CID 70402494

IUPACcarbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane
SMILESCC1(C(F)(F)F)CC1(Cl)Cl.O=C(O)O
InChIInChI=1S/C5H5Cl2F3.CH2O3/c1-3(5(8,9)10)2-4(3,6)7;2-1(3)4/h2H2,1H3;(H2,2,3,4)
InChIKeyDJVFPIYQDAOSFA-UHFFFAOYSA-N
MW255.02 g/mol
LogP3.36
Rot. Bonds

About carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane

carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane (PubChem CID 70402494) has the molecular formula C6H7Cl2F3O3 and a molecular weight of 255.02 g/mol. Its IUPAC name is carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Namecarbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane
PubChem CID70402494
Molecular FormulaC6H7Cl2F3O3
Molecular Weight255.02 g/mol
Exact Mass253.97
IUPAC Namecarbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane
SMILESCC1(C(F)(F)F)CC1(Cl)Cl.O=C(O)O
InChIInChI=1S/C5H5Cl2F3.CH2O3/c1-3(5(8,9)10)2-4(3,6)7;2-1(3)4/h2H2,1H3;(H2,2,3,4)
InChIKeyDJVFPIYQDAOSFA-UHFFFAOYSA-N
XLogP3.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.02
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane?
The IUPAC name of carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane (CID 70402494) is carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane.
What is the SMILES notation for carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane?
The canonical SMILES for carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane is CC1(C(F)(F)F)CC1(Cl)Cl.O=C(O)O.
What is the InChIKey of carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane?
The InChIKey is DJVFPIYQDAOSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2F3.CH2O3/c1-3(5(8,9)10)2-4(3,6)7;2-1(3)4/h2H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane?
carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane has a molecular weight of 255.02 g/mol, XLogP of 3.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 70402494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).