1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene

C32H39FO — CID 139862174

IUPAC1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(CCc3ccc(C4CCC(CCCCC)CC4)cc3)ccc2c1F
InChIInChI=1S/C32H39FO/c1-3-5-6-7-24-10-15-27(16-11-24)28-17-12-25(13-18-28)8-9-26-14-20-30-29(23-26)19-21-31(32(30)33)34-22-4-2/h4,12-14,17-21,23-24,27H,2-3,5-11,15-16,22H2,1H3
InChIKeyNATFHULFCBLVHJ-UHFFFAOYSA-N
MW458.66 g/mol
LogP9.18
Rot. Bonds11

About 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene

1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene (PubChem CID 139862174) has the molecular formula C32H39FO and a molecular weight of 458.66 g/mol. Its IUPAC name is 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
PubChem CID139862174
Molecular FormulaC32H39FO
Molecular Weight458.66 g/mol
Exact Mass458.30
IUPAC Name1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(CCc3ccc(C4CCC(CCCCC)CC4)cc3)ccc2c1F
InChIInChI=1S/C32H39FO/c1-3-5-6-7-24-10-15-27(16-11-24)28-17-12-25(13-18-28)8-9-26-14-20-30-29(23-26)19-21-31(32(30)33)34-22-4-2/h4,12-14,17-21,23-24,27H,2-3,5-11,15-16,22H2,1H3
InChIKeyNATFHULFCBLVHJ-UHFFFAOYSA-N
XLogP9.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.66
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
6-[(2R,4aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoro-2-prop-2-enoxynaphthalene
CID 20807788
2-but-3-enyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862382
1-ethoxy-2,3-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl]benzene
CID 154607279
1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139862915
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128
7-[(2R,4aR)-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-prop-2-enoxynaphthalene
CID 20807521
1,2-difluoro-7-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-prop-2-enoxynaphthalene
CID 22384139
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)naphthalene
CID 139863906
1-fluoro-2-[2-[4-(4-hexylcyclohexyl)phenyl]ethynyl]-6-propylnaphthalene
CID 139877385

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene?
The IUPAC name of 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene (CID 139862174) is 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene.
What is the SMILES notation for 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene?
The canonical SMILES for 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(CCc3ccc(C4CCC(CCCCC)CC4)cc3)ccc2c1F.
What is the InChIKey of 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene?
The InChIKey is NATFHULFCBLVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FO/c1-3-5-6-7-24-10-15-27(16-11-24)28-17-12-25(13-18-28)8-9-26-14-20-30-29(23-26)19-21-31(32(30)33)34-22-4-2/h4,12-14,17-21,23-24,27H,2-3,5-11,15-16,22H2,1H3.
What are the key properties of 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene?
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene has a molecular weight of 458.66 g/mol, XLogP of 9.18, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene is sourced from PubChem (CID 139862174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).