1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene

C32H45FO — CID 21265282

IUPAC1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene
SMILESCCC(OC)C1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3)CC2)CC1
InChIInChI=1S/C32H45FO/c1-3-32(34-2)31-20-18-30(19-21-31)29-14-8-25(9-15-29)5-4-24-6-12-27(13-7-24)28-16-10-26(11-17-28)22-23-33/h6-7,10-13,16-17,25,29-32H,3-5,8-9,14-15,18-23H2,1-2H3
InChIKeyBLWUVTMLFPTBOL-UHFFFAOYSA-N
MW464.71 g/mol
LogP8.84
Rot. Bonds10

About 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene

1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene (PubChem CID 21265282) has the molecular formula C32H45FO and a molecular weight of 464.71 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene
PubChem CID21265282
Molecular FormulaC32H45FO
Molecular Weight464.71 g/mol
Exact Mass464.35
IUPAC Name1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene
SMILESCCC(OC)C1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3)CC2)CC1
InChIInChI=1S/C32H45FO/c1-3-32(34-2)31-20-18-30(19-21-31)29-14-8-25(9-15-29)5-4-24-6-12-27(13-7-24)28-16-10-26(11-17-28)22-23-33/h6-7,10-13,16-17,25,29-32H,3-5,8-9,14-15,18-23H2,1-2H3
InChIKeyBLWUVTMLFPTBOL-UHFFFAOYSA-N
XLogP8.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.71
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene with MolForge

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Related Compounds

MeP2OcHPa
CID 14847948
3P2OcHPa
CID 14847950
4P3OcHPa
CID 14847958
MeP4OcHPa
CID 14847962
2P5OcHPa
CID 14847970
5PMeOcHPa
CID 14847994
FPMeOcHPa
CID 23391107
FP5OcHPa
CID 23391108
FP3OcHPa
CID 23391109
FP4OcHPa
CID 23391127
FP2OcHPa
CID 23391131
Oxirane, 2-(2-(1,1'-biphenyl-4-yl)ethyl)-
CID 148940

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene?
The IUPAC name of 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene (CID 21265282) is 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene?
The canonical SMILES for 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene is CCC(OC)C1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene?
The InChIKey is BLWUVTMLFPTBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45FO/c1-3-32(34-2)31-20-18-30(19-21-31)29-14-8-25(9-15-29)5-4-24-6-12-27(13-7-24)28-16-10-26(11-17-28)22-23-33/h6-7,10-13,16-17,25,29-32H,3-5,8-9,14-15,18-23H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene?
1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene has a molecular weight of 464.71 g/mol, XLogP of 8.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[4-[2-[4-[4-(1-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene is sourced from PubChem (CID 21265282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).