1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane

C10H14F6 — CID 15656332

IUPAC1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane
SMILESFCC1(C(F)F)CCC(CF)(C(F)F)CC1
InChIInChI=1S/C10H14F6/c11-5-9(7(13)14)1-2-10(6-12,4-3-9)8(15)16/h7-8H,1-6H2
InChIKeyBHDLVINIZKRQCM-UHFFFAOYSA-N
MW248.21 g/mol
LogP4.00
Rot. Bonds4

About 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane

1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane (PubChem CID 15656332) has the molecular formula C10H14F6 and a molecular weight of 248.21 g/mol. Its IUPAC name is 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane
PubChem CID15656332
Molecular FormulaC10H14F6
Molecular Weight248.21 g/mol
Exact Mass248.10
IUPAC Name1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane
SMILESFCC1(C(F)F)CCC(CF)(C(F)F)CC1
InChIInChI=1S/C10H14F6/c11-5-9(7(13)14)1-2-10(6-12,4-3-9)8(15)16/h7-8H,1-6H2
InChIKeyBHDLVINIZKRQCM-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane?
The IUPAC name of 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane (CID 15656332) is 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane.
What is the SMILES notation for 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane?
The canonical SMILES for 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane is FCC1(C(F)F)CCC(CF)(C(F)F)CC1.
What is the InChIKey of 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane?
The InChIKey is BHDLVINIZKRQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6/c11-5-9(7(13)14)1-2-10(6-12,4-3-9)8(15)16/h7-8H,1-6H2.
What are the key properties of 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane?
1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane has a molecular weight of 248.21 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane is sourced from PubChem (CID 15656332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).