1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane

C17H28F2 — CID 19842720

IUPAC1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(CC=C(F)F)CC2)CC1
InChIInChI=1S/C17H28F2/c1-2-13-3-8-15(9-4-13)16-10-5-14(6-11-16)7-12-17(18)19/h12-16H,2-11H2,1H3
InChIKeySLIKXLWZLCDDSI-UHFFFAOYSA-N
MW270.41 g/mol
LogP6.18
Rot. Bonds4

About 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane

1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane (PubChem CID 19842720) has the molecular formula C17H28F2 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane
PubChem CID19842720
Molecular FormulaC17H28F2
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(CC=C(F)F)CC2)CC1
InChIInChI=1S/C17H28F2/c1-2-13-3-8-15(9-4-13)16-10-5-14(6-11-16)7-12-17(18)19/h12-16H,2-11H2,1H3
InChIKeySLIKXLWZLCDDSI-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.41
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane (CID 19842720) is 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane is CCC1CCC(C2CCC(CC=C(F)F)CC2)CC1.
What is the InChIKey of 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
The InChIKey is SLIKXLWZLCDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2/c1-2-13-3-8-15(9-4-13)16-10-5-14(6-11-16)7-12-17(18)19/h12-16H,2-11H2,1H3.
What are the key properties of 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane has a molecular weight of 270.41 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroprop-2-enyl)-4-(4-ethylcyclohexyl)cyclohexane is sourced from PubChem (CID 19842720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).