2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene

C26H37F — CID 18653628

IUPAC2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene
SMILESCC#Cc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)cc1F
InChIInChI=1S/C26H37F/c1-3-5-20-9-14-23(15-10-20)24-16-11-21(12-17-24)7-8-22-13-18-25(6-4-2)26(27)19-22/h13,18-21,23-24H,3,5,7-12,14-17H2,1-2H3
InChIKeyIQJVFVXFEKKXTP-UHFFFAOYSA-N
MW368.58 g/mol
LogP7.54
Rot. Bonds6

About 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene

2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene (PubChem CID 18653628) has the molecular formula C26H37F and a molecular weight of 368.58 g/mol. Its IUPAC name is 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene
PubChem CID18653628
Molecular FormulaC26H37F
Molecular Weight368.58 g/mol
Exact Mass368.29
IUPAC Name2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene
SMILESCC#Cc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)cc1F
InChIInChI=1S/C26H37F/c1-3-5-20-9-14-23(15-10-20)24-16-11-21(12-17-24)7-8-22-13-18-25(6-4-2)26(27)19-22/h13,18-21,23-24H,3,5,7-12,14-17H2,1-2H3
InChIKeyIQJVFVXFEKKXTP-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.58
LogP ≤ 57.54
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

4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2-fluorobenzonitrile
CID 67894337
2-fluoro-1-isothiocyanato-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 23572261
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene
CID 21136689
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383221
2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]ethyl]benzonitrile
CID 19988187
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
2-fluoro-4-(4-propylcyclohexyl)-1-[2-(4-propylphenyl)ethynyl]benzene
CID 14365889
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
CID 54106542
CID 54106542

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene?
The IUPAC name of 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene (CID 18653628) is 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene.
What is the SMILES notation for 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene?
The canonical SMILES for 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene is CC#Cc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene?
The InChIKey is IQJVFVXFEKKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F/c1-3-5-20-9-14-23(15-10-20)24-16-11-21(12-17-24)7-8-22-13-18-25(6-4-2)26(27)19-22/h13,18-21,23-24H,3,5,7-12,14-17H2,1-2H3.
What are the key properties of 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene?
2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene has a molecular weight of 368.58 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene is sourced from PubChem (CID 18653628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).