1,1-difluoro-4,4-di(propan-2-yl)cyclohexane

C12H22F2 — CID 21068515

IUPAC1,1-difluoro-4,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C12H22F2/c1-9(2)11(10(3)4)5-7-12(13,14)8-6-11/h9-10H,5-8H2,1-4H3
InChIKeyZKXKHLMPOFBXPR-UHFFFAOYSA-N
MW204.30 g/mol
LogP4.49
Rot. Bonds2

About 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane

1,1-difluoro-4,4-di(propan-2-yl)cyclohexane (PubChem CID 21068515) has the molecular formula C12H22F2 and a molecular weight of 204.30 g/mol. Its IUPAC name is 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4,4-di(propan-2-yl)cyclohexane
PubChem CID21068515
Molecular FormulaC12H22F2
Molecular Weight204.30 g/mol
Exact Mass204.17
IUPAC Name1,1-difluoro-4,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C12H22F2/c1-9(2)11(10(3)4)5-7-12(13,14)8-6-11/h9-10H,5-8H2,1-4H3
InChIKeyZKXKHLMPOFBXPR-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane?
The IUPAC name of 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane (CID 21068515) is 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane is CC(C)C1(C(C)C)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane?
The InChIKey is ZKXKHLMPOFBXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2/c1-9(2)11(10(3)4)5-7-12(13,14)8-6-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane?
1,1-difluoro-4,4-di(propan-2-yl)cyclohexane has a molecular weight of 204.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,4-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 21068515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).