2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene

C18H24F4 — CID 139608148

IUPAC2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(CCc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C18H24F4/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(12-17(15)19)18(20,21)22/h10-14H,2-9H2,1H3
InChIKeyDWMRBNCWNJMHIS-UHFFFAOYSA-N
MW316.38 g/mol
LogP6.38
Rot. Bonds5

About 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene

2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene (PubChem CID 139608148) has the molecular formula C18H24F4 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
PubChem CID139608148
Molecular FormulaC18H24F4
Molecular Weight316.38 g/mol
Exact Mass316.18
IUPAC Name2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(CCc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C18H24F4/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(12-17(15)19)18(20,21)22/h10-14H,2-9H2,1H3
InChIKeyDWMRBNCWNJMHIS-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 67787578
2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21265276
2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 139779236
2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500274
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
4-[2-(4-butylcyclohexyl)ethyl]-3-fluorobenzonitrile;4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorobenzonitrile;3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzonitrile;3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzonitrile
CID 173399906
2-[4-[2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexyl]ethyl]-3-fluorophenyl]oxirane
CID 88964043
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene (CID 139608148) is 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene is CCCC1CCC(CCc2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is DWMRBNCWNJMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(12-17(15)19)18(20,21)22/h10-14H,2-9H2,1H3.
What are the key properties of 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 316.38 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 139608148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).