1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene

C31H38F2 — CID 139873920

IUPAC1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
SMILESCCCCCC1CCC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)CC1
InChIInChI=1S/C31H38F2/c1-2-3-4-5-23-6-8-24(9-7-23)10-11-26-15-21-30-28(22-26)18-17-27(31(30)33)16-12-25-13-19-29(32)20-14-25/h13-15,17-24H,2-12,16H2,1H3
InChIKeySVZLMDCKDVXKRF-UHFFFAOYSA-N
MW448.64 g/mol
LogP9.22
Rot. Bonds10

About 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene

1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene (PubChem CID 139873920) has the molecular formula C31H38F2 and a molecular weight of 448.64 g/mol. Its IUPAC name is 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
PubChem CID139873920
Molecular FormulaC31H38F2
Molecular Weight448.64 g/mol
Exact Mass448.29
IUPAC Name1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
SMILESCCCCCC1CCC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)CC1
InChIInChI=1S/C31H38F2/c1-2-3-4-5-23-6-8-24(9-7-23)10-11-26-15-21-30-28(22-26)18-17-27(31(30)33)16-12-25-13-19-29(32)20-14-25/h13-15,17-24H,2-12,16H2,1H3
InChIKeySVZLMDCKDVXKRF-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-1-fluoro-6-[2-(4-hexylcyclohexyl)ethyl]naphthalene
CID 139871039
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-[2-(4-heptylcyclohexyl)ethyl]naphthalene
CID 139870919
1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139872779
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-heptyl-1,3-dioxane
CID 139871118
2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-hexyl-1,3-dioxane
CID 139872802
1-fluoro-6-[2-[4-(3-methoxypropyl)cyclohexyl]ethyl]-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871006
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139872664

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene?
The IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene (CID 139873920) is 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene?
The canonical SMILES for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene is CCCCCC1CCC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene?
The InChIKey is SVZLMDCKDVXKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F2/c1-2-3-4-5-23-6-8-24(9-7-23)10-11-26-15-21-30-28(22-26)18-17-27(31(30)33)16-12-25-13-19-29(32)20-14-25/h13-15,17-24H,2-12,16H2,1H3.
What are the key properties of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene?
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene has a molecular weight of 448.64 g/mol, XLogP of 9.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene is sourced from PubChem (CID 139873920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).