1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene

C21H21F5 — CID 58555558

IUPAC1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)C1
InChIInChI=1S/C21H21F5/c1-2-3-13-4-5-16(10-13)14-6-8-15(9-7-14)17-11-18(22)20(19(23)12-17)21(24,25)26/h6-9,11-13,16H,2-5,10H2,1H3
InChIKeyYTVICVSUFXOSFI-UHFFFAOYSA-N
MW368.39 g/mol
LogP7.33
Rot. Bonds4

About 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene

1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 58555558) has the molecular formula C21H21F5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
PubChem CID58555558
Molecular FormulaC21H21F5
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC Name1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)C1
InChIInChI=1S/C21H21F5/c1-2-3-13-4-5-16(10-13)14-6-8-15(9-7-14)17-11-18(22)20(19(23)12-17)21(24,25)26/h6-9,11-13,16H,2-5,10H2,1H3
InChIKeyYTVICVSUFXOSFI-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4aR,8aR)-2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809342
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
2-propyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384631
2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384206
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-4-propylcycloheptane
CID 118360369
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383228
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247002
1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856331
1,3-difluoro-5-[4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 163936290
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385102
(4aS,4bS,7R,8aR,10aS)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032762
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene (CID 58555558) is 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene is CCCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)C1.
What is the InChIKey of 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is YTVICVSUFXOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F5/c1-2-3-13-4-5-16(10-13)14-6-8-15(9-7-14)17-11-18(22)20(19(23)12-17)21(24,25)26/h6-9,11-13,16H,2-5,10H2,1H3.
What are the key properties of 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene?
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 368.39 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 58555558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).