1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene

C24H31FO — CID 139861263

IUPAC1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1F
InChIInChI=1S/C24H31FO/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-22-21(17-20)13-15-23(24(22)25)26-16-4-2/h4,12-15,17-19H,2-3,5-11,16H2,1H3
InChIKeyGERGYYKIFNVEBA-UHFFFAOYSA-N
MW354.51 g/mol
LogP7.40
Rot. Bonds8

About 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene

1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene (PubChem CID 139861263) has the molecular formula C24H31FO and a molecular weight of 354.51 g/mol. Its IUPAC name is 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
PubChem CID139861263
Molecular FormulaC24H31FO
Molecular Weight354.51 g/mol
Exact Mass354.24
IUPAC Name1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1F
InChIInChI=1S/C24H31FO/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-22-21(17-20)13-15-23(24(22)25)26-16-4-2/h4,12-15,17-19H,2-3,5-11,16H2,1H3
InChIKeyGERGYYKIFNVEBA-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 57.40
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-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174
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
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
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
6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene
CID 22384766
1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139862915
[1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-yl] trifluoromethanesulfonate
CID 139850018
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene?
The IUPAC name of 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene (CID 139861263) is 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene.
What is the SMILES notation for 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene?
The canonical SMILES for 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1F.
What is the InChIKey of 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene?
The InChIKey is GERGYYKIFNVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FO/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-22-21(17-20)13-15-23(24(22)25)26-16-4-2/h4,12-15,17-19H,2-3,5-11,16H2,1H3.
What are the key properties of 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene?
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene has a molecular weight of 354.51 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene is sourced from PubChem (CID 139861263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).