1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane

C12H24F2 — CID 167456625

IUPAC1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane
SMILESCC.CC(C)C1CCC(C(F)F)CC1
InChIInChI=1S/C10H18F2.C2H6/c1-7(2)8-3-5-9(6-4-8)10(11)12;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyMBBNWYVTLBERIQ-UHFFFAOYSA-N
MW206.32 g/mol
LogP4.74
Rot. Bonds2

About 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane

1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane (PubChem CID 167456625) has the molecular formula C12H24F2 and a molecular weight of 206.32 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane.

Molecular Properties

Compound Name1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane
PubChem CID167456625
Molecular FormulaC12H24F2
Molecular Weight206.32 g/mol
Exact Mass206.18
IUPAC Name1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane
SMILESCC.CC(C)C1CCC(C(F)F)CC1
InChIInChI=1S/C10H18F2.C2H6/c1-7(2)8-3-5-9(6-4-8)10(11)12;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyMBBNWYVTLBERIQ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

propan-2-ylcyclopropane;hydroiodide
CID 162314014
1-fluoroethylcyclopropane
CID 22262429
5-(difluoromethyl)-1-ethyl-2-propan-2-ylazepane
CID 175613640
difluoromethylcyclopentadecane
CID 101486578
difluoromethylcyclohexane
CID 11804807
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
difluoromethylcyclohexane;propane
CID 144840509
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;ethane
CID 169113778
4-propan-2-ylcyclohexan-1-ol
CID 159817143
[(2S)-3-fluorobutan-2-yl]cyclopropane
CID 170226642
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
CID 144671980
CID 144671980

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane?
The IUPAC name of 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane (CID 167456625) is 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane.
What is the SMILES notation for 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane?
The canonical SMILES for 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane is CC.CC(C)C1CCC(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane?
The InChIKey is MBBNWYVTLBERIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2.C2H6/c1-7(2)8-3-5-9(6-4-8)10(11)12;1-2/h7-10H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane?
1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane has a molecular weight of 206.32 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane is sourced from PubChem (CID 167456625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).