1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane

C19H35F — CID 70489412

IUPAC1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(CCCCCF)CC2)CC1
InChIInChI=1S/C19H35F/c1-2-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-4-3-5-15-20/h16-19H,2-15H2,1H3
InChIKeyFVLVMSIZWZJBIB-UHFFFAOYSA-N
MW282.49 g/mol
LogP6.54
Rot. Bonds7

About 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane

1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane (PubChem CID 70489412) has the molecular formula C19H35F and a molecular weight of 282.49 g/mol. Its IUPAC name is 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
PubChem CID70489412
Molecular FormulaC19H35F
Molecular Weight282.49 g/mol
Exact Mass282.27
IUPAC Name1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(CCCCCF)CC2)CC1
InChIInChI=1S/C19H35F/c1-2-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-4-3-5-15-20/h16-19H,2-15H2,1H3
InChIKeyFVLVMSIZWZJBIB-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(8-fluorooctyl)-4-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 54035410
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459
1-[4-(3-fluoropropyl)cyclohexyl]-4-[2-(4-hexylcyclohexyl)ethyl]cyclohexane
CID 19352474
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 161382402
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane (CID 70489412) is 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane is CCC1CCC(C2CCC(CCCCCF)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane?
The InChIKey is FVLVMSIZWZJBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F/c1-2-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-4-3-5-15-20/h16-19H,2-15H2,1H3.
What are the key properties of 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane?
1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane has a molecular weight of 282.49 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 70489412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).