1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene

C24H34F4O — CID 21459477

IUPAC1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
SMILESFCCCC1CCC(C2CCC(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H34F4O/c25-17-1-2-18-5-11-21(12-6-18)22-13-7-19(8-14-22)3-4-20-9-15-23(16-10-20)29-24(26,27)28/h9-10,15-16,18-19,21-22H,1-8,11-14,17H2
InChIKeyRIWRRCCGDWWMFE-UHFFFAOYSA-N
MW414.53 g/mol
LogP7.88
Rot. Bonds8

About 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene

1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene (PubChem CID 21459477) has the molecular formula C24H34F4O and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
PubChem CID21459477
Molecular FormulaC24H34F4O
Molecular Weight414.53 g/mol
Exact Mass414.25
IUPAC Name1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
SMILESFCCCC1CCC(C2CCC(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H34F4O/c25-17-1-2-18-5-11-21(12-6-18)22-13-7-19(8-14-22)3-4-20-9-15-23(16-10-20)29-24(26,27)28/h9-10,15-16,18-19,21-22H,1-8,11-14,17H2
InChIKeyRIWRRCCGDWWMFE-UHFFFAOYSA-N
XLogP7.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[4-(4-methylpentyl)cyclohexyl]ethyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702564
1-(1,1,2,2,2-pentafluoroethoxy)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 18650565
2-fluoro-7-[4-[4-[4-[4-(trifluoromethoxy)phenyl]butyl]cyclohexyl]cyclohexyl]hepta-2,4-dienenitrile
CID 54036468
2-fluoro-5-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexyl]penta-2,4-dienenitrile
CID 54229674
1-(difluoromethoxy)-4-[difluoro-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]methoxy]benzene
CID 70177031
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54227543
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine
CID 141113382
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene (CID 21459477) is 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene is FCCCC1CCC(C2CCC(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
The InChIKey is RIWRRCCGDWWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F4O/c25-17-1-2-18-5-11-21(12-6-18)22-13-7-19(8-14-22)3-4-20-9-15-23(16-10-20)29-24(26,27)28/h9-10,15-16,18-19,21-22H,1-8,11-14,17H2.
What are the key properties of 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene has a molecular weight of 414.53 g/mol, XLogP of 7.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 21459477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).