2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene

C15H18F4O — CID 58555462

IUPAC2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
SMILESCCCC1CCC(c2ccc(OC(F)(F)F)c(F)c2)C1
InChIInChI=1S/C15H18F4O/c1-2-3-10-4-5-11(8-10)12-6-7-14(13(16)9-12)20-15(17,18)19/h6-7,9-11H,2-5,8H2,1H3
InChIKeyDBHQPBDIOCZOOH-UHFFFAOYSA-N
MW290.30 g/mol
LogP5.41
Rot. Bonds4

About 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene

2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene (PubChem CID 58555462) has the molecular formula C15H18F4O and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
PubChem CID58555462
Molecular FormulaC15H18F4O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
SMILESCCCC1CCC(c2ccc(OC(F)(F)F)c(F)c2)C1
InChIInChI=1S/C15H18F4O/c1-2-3-10-4-5-11(8-10)12-6-7-14(13(16)9-12)20-15(17,18)19/h6-7,9-11H,2-5,8H2,1H3
InChIKeyDBHQPBDIOCZOOH-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.30
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22045467
2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384679
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 19366440
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
2-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383102
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837275
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-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 22080061
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
2-ethyl-6-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384069
4-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 139629446

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene (CID 58555462) is 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene is CCCC1CCC(c2ccc(OC(F)(F)F)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene?
The InChIKey is DBHQPBDIOCZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O/c1-2-3-10-4-5-11(8-10)12-6-7-14(13(16)9-12)20-15(17,18)19/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene?
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene has a molecular weight of 290.30 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 58555462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).