1,1-bis(trifluoromethyl)cycloheptane

C9H12F6 — CID 23233578

IUPAC1,1-bis(trifluoromethyl)cycloheptane
SMILESFC(F)(F)C1(C(F)(F)F)CCCCCC1
InChIInChI=1S/C9H12F6/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6-7/h1-6H2
InChIKeyCLZQGZCRVZZSLH-UHFFFAOYSA-N
MW234.18 g/mol
LogP4.45
Rot. Bonds

About 1,1-bis(trifluoromethyl)cycloheptane

1,1-bis(trifluoromethyl)cycloheptane (PubChem CID 23233578) has the molecular formula C9H12F6 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1,1-bis(trifluoromethyl)cycloheptane.

Molecular Properties

Compound Name1,1-bis(trifluoromethyl)cycloheptane
PubChem CID23233578
Molecular FormulaC9H12F6
Molecular Weight234.18 g/mol
Exact Mass234.08
IUPAC Name1,1-bis(trifluoromethyl)cycloheptane
SMILESFC(F)(F)C1(C(F)(F)F)CCCCCC1
InChIInChI=1S/C9H12F6/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6-7/h1-6H2
InChIKeyCLZQGZCRVZZSLH-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(trifluoromethyl)cycloheptane?
The IUPAC name of 1,1-bis(trifluoromethyl)cycloheptane (CID 23233578) is 1,1-bis(trifluoromethyl)cycloheptane.
What is the SMILES notation for 1,1-bis(trifluoromethyl)cycloheptane?
The canonical SMILES for 1,1-bis(trifluoromethyl)cycloheptane is FC(F)(F)C1(C(F)(F)F)CCCCCC1.
What is the InChIKey of 1,1-bis(trifluoromethyl)cycloheptane?
The InChIKey is CLZQGZCRVZZSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6-7/h1-6H2.
What are the key properties of 1,1-bis(trifluoromethyl)cycloheptane?
1,1-bis(trifluoromethyl)cycloheptane has a molecular weight of 234.18 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(trifluoromethyl)cycloheptane is sourced from PubChem (CID 23233578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).