1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene

C28H29F5 — CID 139873665

IUPAC1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
SMILESCCCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C28H29F5/c1-2-3-18-4-8-20(9-5-18)22-13-14-24-23(17-22)12-11-21(27(24)30)10-6-19-7-15-25(26(29)16-19)28(31,32)33/h7,11-18,20H,2-6,8-10H2,1H3
InChIKeyUTBDWBXCXDFSRA-UHFFFAOYSA-N
MW460.53 g/mol
LogP9.00
Rot. Bonds6

About 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene

1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene (PubChem CID 139873665) has the molecular formula C28H29F5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene.

Molecular Properties

Compound Name1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
PubChem CID139873665
Molecular FormulaC28H29F5
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC Name1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
SMILESCCCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C28H29F5/c1-2-3-18-4-8-20(9-5-18)22-13-14-24-23(17-22)12-11-21(27(24)30)10-6-19-7-15-25(26(29)16-19)28(31,32)33/h7,11-18,20H,2-6,8-10H2,1H3
InChIKeyUTBDWBXCXDFSRA-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139871120
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-5-heptyl-1,3-dioxane
CID 139872861
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-(4-heptylcyclohexyl)naphthalene
CID 139873201
2-[2-(3,4-difluorophenyl)ethyl]-1-fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 139874229
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139871845
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene
CID 139873212

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene?
The IUPAC name of 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene (CID 139873665) is 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene.
What is the SMILES notation for 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene?
The canonical SMILES for 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene is CCCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene?
The InChIKey is UTBDWBXCXDFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F5/c1-2-3-18-4-8-20(9-5-18)22-13-14-24-23(17-22)12-11-21(27(24)30)10-6-19-7-15-25(26(29)16-19)28(31,32)33/h7,11-18,20H,2-6,8-10H2,1H3.
What are the key properties of 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene?
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene has a molecular weight of 460.53 g/mol, XLogP of 9.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene is sourced from PubChem (CID 139873665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).