1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane

C11H17F3 — CID 19961268

IUPAC1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESCCCC1CCC(C(F)=C(F)F)CC1
InChIInChI=1S/C11H17F3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h8-9H,2-7H2,1H3
InChIKeyCMNPITHTADJFNM-UHFFFAOYSA-N
MW206.25 g/mol
LogP4.67
Rot. Bonds3

About 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane

1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane (PubChem CID 19961268) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane.

Molecular Properties

Compound Name1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane
PubChem CID19961268
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESCCCC1CCC(C(F)=C(F)F)CC1
InChIInChI=1S/C11H17F3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h8-9H,2-7H2,1H3
InChIKeyCMNPITHTADJFNM-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The IUPAC name of 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane (CID 19961268) is 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane.
What is the SMILES notation for 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The canonical SMILES for 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane is CCCC1CCC(C(F)=C(F)F)CC1.
What is the InChIKey of 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The InChIKey is CMNPITHTADJFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h8-9H,2-7H2,1H3.
What are the key properties of 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane has a molecular weight of 206.25 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(1,2,2-trifluoroethenyl)cyclohexane is sourced from PubChem (CID 19961268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).