2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene

C26H31F — CID 18653634

IUPAC2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene
SMILESCC#CC1CCC(CCc2ccc(-c3ccc(CCC)cc3F)cc2)CC1
InChIInChI=1S/C26H31F/c1-3-5-20-7-9-21(10-8-20)11-12-22-13-16-24(17-14-22)25-18-15-23(6-4-2)19-26(25)27/h13-21H,4,6-12H2,1-2H3
InChIKeyWIKHUYLGCKSLAK-UHFFFAOYSA-N
MW362.53 g/mol
LogP7.21
Rot. Bonds6

About 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene

2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene (PubChem CID 18653634) has the molecular formula C26H31F and a molecular weight of 362.53 g/mol. Its IUPAC name is 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene
PubChem CID18653634
Molecular FormulaC26H31F
Molecular Weight362.53 g/mol
Exact Mass362.24
IUPAC Name2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene
SMILESCC#CC1CCC(CCc2ccc(-c3ccc(CCC)cc3F)cc2)CC1
InChIInChI=1S/C26H31F/c1-3-5-20-7-9-21(10-8-20)11-12-22-13-16-24(17-14-22)25-18-15-23(6-4-2)19-26(25)27/h13-21H,4,6-12H2,1-2H3
InChIKeyWIKHUYLGCKSLAK-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.53
LogP ≤ 57.21
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

1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
1-(4-butylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)ethynyl]benzene
CID 57113325
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
1-(4-butylphenyl)-4-[2-(4-ethylcyclohexyl)ethynyl]-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethynyl]benzene
CID 70382319
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
CID 162565754
5-[4-[2-[4-(4-butylphenyl)cyclohexyl]ethyl]-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 54435292
1,3-difluoro-5-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene-2-ide;yttrium(3+)
CID 18720734
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene?
The IUPAC name of 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene (CID 18653634) is 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene?
The canonical SMILES for 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene is CC#CC1CCC(CCc2ccc(-c3ccc(CCC)cc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene?
The InChIKey is WIKHUYLGCKSLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F/c1-3-5-20-7-9-21(10-8-20)11-12-22-13-16-24(17-14-22)25-18-15-23(6-4-2)19-26(25)27/h13-21H,4,6-12H2,1-2H3.
What are the key properties of 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene?
2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene has a molecular weight of 362.53 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene is sourced from PubChem (CID 18653634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).