1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene

C22H24F4 — CID 139856609

IUPAC1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
SMILESC/C=C/CCC1CCC(c2ccc3c(F)c(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C22H24F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)22(24,25)26/h2-3,10-16H,4-9H2,1H3/b3-2+
InChIKeyXHPBTFDZZUVETO-NSCUHMNNSA-N
MW364.43 g/mol
LogP7.63
Rot. Bonds4

About 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene

1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene (PubChem CID 139856609) has the molecular formula C22H24F4 and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
PubChem CID139856609
Molecular FormulaC22H24F4
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
SMILESC/C=C/CCC1CCC(c2ccc3c(F)c(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C22H24F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)22(24,25)26/h2-3,10-16H,4-9H2,1H3/b3-2+
InChIKeyXHPBTFDZZUVETO-NSCUHMNNSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-[2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139858345
7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
CID 139863275
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 139871995
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene?
The IUPAC name of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene (CID 139856609) is 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene is C/C=C/CCC1CCC(c2ccc3c(F)c(C(F)(F)F)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene?
The InChIKey is XHPBTFDZZUVETO-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H24F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)22(24,25)26/h2-3,10-16H,4-9H2,1H3/b3-2+.
What are the key properties of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene?
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene has a molecular weight of 364.43 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139856609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).