1-(difluoromethoxy)-4-propan-2-ylcyclohexane

C10H18F2O — CID 140573486

IUPAC1-(difluoromethoxy)-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(OC(F)F)CC1
InChIInChI=1S/C10H18F2O/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h7-10H,3-6H2,1-2H3
InChIKeyKEVVUBFOOIUDJV-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.44
Rot. Bonds3

About 1-(difluoromethoxy)-4-propan-2-ylcyclohexane

1-(difluoromethoxy)-4-propan-2-ylcyclohexane (PubChem CID 140573486) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-propan-2-ylcyclohexane
PubChem CID140573486
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-(difluoromethoxy)-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(OC(F)F)CC1
InChIInChI=1S/C10H18F2O/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h7-10H,3-6H2,1-2H3
InChIKeyKEVVUBFOOIUDJV-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(difluoromethoxy)-4-propan-2-ylcyclohexane (CID 140573486) is 1-(difluoromethoxy)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(difluoromethoxy)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(difluoromethoxy)-4-propan-2-ylcyclohexane is CC(C)C1CCC(OC(F)F)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-propan-2-ylcyclohexane?
The InChIKey is KEVVUBFOOIUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-propan-2-ylcyclohexane?
1-(difluoromethoxy)-4-propan-2-ylcyclohexane has a molecular weight of 192.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 140573486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).