1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane

C16H29F — CID 18344114

IUPAC1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C16H29F/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h13-16H,2-12H2,1H3
InChIKeyPTDFWCIOLTUIKN-UHFFFAOYSA-N
MW240.41 g/mol
LogP5.37
Rot. Bonds4

About 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane

1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (PubChem CID 18344114) has the molecular formula C16H29F and a molecular weight of 240.41 g/mol. Its IUPAC name is 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
PubChem CID18344114
Molecular FormulaC16H29F
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C16H29F/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h13-16H,2-12H2,1H3
InChIKeyPTDFWCIOLTUIKN-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclohexane, 1-(cyclohexylmethyl)-4-methyl-, trans-
CID 41201
Cyclohexane, 1-(cyclohexylmethyl)-4-ethyl-, cis-
CID 143232
Heptane, 1,1-dicyclohexyl-
CID 16404
1,1-Dicyclohexyltetradecane
CID 291313
(trans,trans)-4-Butyl-4'-propyl-1,1'-bicyclohexyl
CID 11086663
(trans,trans)-4-Ethyl-4'-propyl-1,1'-bicyclohexyl
CID 19850402
(trans,trans)-4-Pentyl-4'-propyl-1,1'-bicyclohexyl
CID 21972079
(trans,trans)-4-Ethyl-4'-pentyl-1,1'-bicyclohexyl
CID 22141815
(trans,trans)-4-Pentyl-4'-(trifluoromethyl)-1,1'-bicyclohexyl
CID 57935354
Meso-3,4-dicyclohexyl-hexane
CID 44450326
Tricyclo(8.2.2.24,7)-hexadecane
CID 136117
1,1'-Ethylidenebis(cyclohexane)
CID 137542

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (CID 18344114) is 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is CCC1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The InChIKey is PTDFWCIOLTUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h13-16H,2-12H2,1H3.
What are the key properties of 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane has a molecular weight of 240.41 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 18344114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).