1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane

C17H25F7 — CID 101139965

IUPAC1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCC1CCC(C(F)(F)C(F)(F)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H25F7/c1-2-11-3-5-12(6-4-11)15(18,19)16(20,21)13-7-9-14(10-8-13)17(22,23)24/h11-14H,2-10H2,1H3
InChIKeyIABRHRPELNZRRK-UHFFFAOYSA-N
MW362.37 g/mol
LogP6.84
Rot. Bonds4

About 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane

1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 101139965) has the molecular formula C17H25F7 and a molecular weight of 362.37 g/mol. Its IUPAC name is 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
PubChem CID101139965
Molecular FormulaC17H25F7
Molecular Weight362.37 g/mol
Exact Mass362.18
IUPAC Name1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCC1CCC(C(F)(F)C(F)(F)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H25F7/c1-2-11-3-5-12(6-4-11)15(18,19)16(20,21)13-7-9-14(10-8-13)17(22,23)24/h11-14H,2-10H2,1H3
InChIKeyIABRHRPELNZRRK-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.37
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
CID 101139962
1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105155375
[(4-ethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313107
1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756338
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
N,N-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 139711377
1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
CID 71231425
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
6-(4-ethylcyclohexyl)-13-[4-(trifluoromethyl)cyclohexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469720
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane (CID 101139965) is 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane is CCC1CCC(C(F)(F)C(F)(F)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is IABRHRPELNZRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F7/c1-2-11-3-5-12(6-4-11)15(18,19)16(20,21)13-7-9-14(10-8-13)17(22,23)24/h11-14H,2-10H2,1H3.
What are the key properties of 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 362.37 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 101139965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).