1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene

C28H29F — CID 139875825

IUPAC1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene
SMILESCCCC1CCC(c2ccc(C#Cc3ccc4c(F)c(C)ccc4c3)cc2)CC1
InChIInChI=1S/C28H29F/c1-3-4-21-8-14-24(15-9-21)25-16-10-22(11-17-25)6-7-23-12-18-27-26(19-23)13-5-20(2)28(27)29/h5,10-13,16-19,21,24H,3-4,8-9,14-15H2,1-2H3
InChIKeyYOUJVAKMGSWORW-UHFFFAOYSA-N
MW384.54 g/mol
LogP7.76
Rot. Bonds3

About 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene

1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene (PubChem CID 139875825) has the molecular formula C28H29F and a molecular weight of 384.54 g/mol. Its IUPAC name is 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene
PubChem CID139875825
Molecular FormulaC28H29F
Molecular Weight384.54 g/mol
Exact Mass384.23
IUPAC Name1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene
SMILESCCCC1CCC(c2ccc(C#Cc3ccc4c(F)c(C)ccc4c3)cc2)CC1
InChIInChI=1S/C28H29F/c1-3-4-21-8-14-24(15-9-21)25-16-10-22(11-17-25)6-7-23-12-18-27-26(19-23)13-5-20(2)28(27)29/h5,10-13,16-19,21,24H,3-4,8-9,14-15H2,1-2H3
InChIKeyYOUJVAKMGSWORW-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139877146
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-fluoro-6-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-2-pentylnaphthalene
CID 139877253
2-[2-(4-chloro-3,5-difluorophenyl)ethynyl]-1-fluoro-6-(4-propylcyclohexyl)naphthalene
CID 139851021
2-octyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene
CID 19912488
5,21-bis[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 140923388
6-[2-[4-(4-ethenylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876307
1,3-difluoro-2-[2-(4-methylphenyl)ethynyl]-5-(4-propylcyclohexyl)benzene
CID 20625390
1-fluoro-2-[2-[4-(4-hexylcyclohexyl)phenyl]ethynyl]-6-propylnaphthalene
CID 139877385
2-fluoro-1-propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 67864505
1-fluoro-2-isothiocyanato-3-methyl-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 163272795

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene?
The IUPAC name of 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene (CID 139875825) is 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene?
The canonical SMILES for 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene is CCCC1CCC(c2ccc(C#Cc3ccc4c(F)c(C)ccc4c3)cc2)CC1.
What is the InChIKey of 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene?
The InChIKey is YOUJVAKMGSWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F/c1-3-4-21-8-14-24(15-9-21)25-16-10-22(11-17-25)6-7-23-12-18-27-26(19-23)13-5-20(2)28(27)29/h5,10-13,16-19,21,24H,3-4,8-9,14-15H2,1-2H3.
What are the key properties of 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene?
1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene has a molecular weight of 384.54 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene is sourced from PubChem (CID 139875825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).