2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane

C7H8F6 — CID 74023411

IUPAC2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane
SMILESCC1C(C)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-3-4(2)5(3,6(8,9)10)7(11,12)13/h3-4H,1-2H3
InChIKeyPOMUTXRKAJVZJX-UHFFFAOYSA-N
MW206.13 g/mol
LogP3.38
Rot. Bonds

About 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane

2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane (PubChem CID 74023411) has the molecular formula C7H8F6 and a molecular weight of 206.13 g/mol. Its IUPAC name is 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane
PubChem CID74023411
Molecular FormulaC7H8F6
Molecular Weight206.13 g/mol
Exact Mass206.05
IUPAC Name2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane
SMILESCC1C(C)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-3-4(2)5(3,6(8,9)10)7(11,12)13/h3-4H,1-2H3
InChIKeyPOMUTXRKAJVZJX-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane?
The IUPAC name of 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane (CID 74023411) is 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane.
What is the SMILES notation for 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane?
The canonical SMILES for 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane is CC1C(C)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane?
The InChIKey is POMUTXRKAJVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6/c1-3-4(2)5(3,6(8,9)10)7(11,12)13/h3-4H,1-2H3.
What are the key properties of 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane?
2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane has a molecular weight of 206.13 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,1-bis(trifluoromethyl)cyclopropane is sourced from PubChem (CID 74023411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).