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

C13H22F2 — CID 21069123

IUPAC4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane
SMILESCC(C)C1(C(C)C)CCC(=C(F)F)CC1
InChIInChI=1S/C13H22F2/c1-9(2)13(10(3)4)7-5-11(6-8-13)12(14)15/h9-10H,5-8H2,1-4H3
InChIKeyCAIPJQIGXBGCDD-UHFFFAOYSA-N
MW216.31 g/mol
LogP5.01
Rot. Bonds2

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

4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane (PubChem CID 21069123) has the molecular formula C13H22F2 and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane
PubChem CID21069123
Molecular FormulaC13H22F2
Molecular Weight216.31 g/mol
Exact Mass216.17
IUPAC Name4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane
SMILESCC(C)C1(C(C)C)CCC(=C(F)F)CC1
InChIInChI=1S/C13H22F2/c1-9(2)13(10(3)4)7-5-11(6-8-13)12(14)15/h9-10H,5-8H2,1-4H3
InChIKeyCAIPJQIGXBGCDD-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.31
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane?
The IUPAC name of 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane (CID 21069123) is 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane?
The canonical SMILES for 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane is CC(C)C1(C(C)C)CCC(=C(F)F)CC1.
What is the InChIKey of 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane?
The InChIKey is CAIPJQIGXBGCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2/c1-9(2)13(10(3)4)7-5-11(6-8-13)12(14)15/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane?
4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane has a molecular weight of 216.31 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 21069123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).