1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane

C10H18F2 — CID 138611872

IUPAC1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane
SMILESCC(C)C1(C)CC(CF)(CF)C1
InChIInChI=1S/C10H18F2/c1-8(2)9(3)4-10(5-9,6-11)7-12/h8H,4-7H2,1-3H3
InChIKeyRVCNFVREMSSAFK-UHFFFAOYSA-N
MW176.25 g/mol
LogP3.37
Rot. Bonds3

About 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane

1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane (PubChem CID 138611872) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane
PubChem CID138611872
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane
SMILESCC(C)C1(C)CC(CF)(CF)C1
InChIInChI=1S/C10H18F2/c1-8(2)9(3)4-10(5-9,6-11)7-12/h8H,4-7H2,1-3H3
InChIKeyRVCNFVREMSSAFK-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane?
The IUPAC name of 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane (CID 138611872) is 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane?
The canonical SMILES for 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane is CC(C)C1(C)CC(CF)(CF)C1.
What is the InChIKey of 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane?
The InChIKey is RVCNFVREMSSAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2/c1-8(2)9(3)4-10(5-9,6-11)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane?
1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane has a molecular weight of 176.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane is sourced from PubChem (CID 138611872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).