1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene

C24H29F3 — CID 19760671

IUPAC1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3cc(CF)cc(CF)c3CF)cc2)CC1
InChIInChI=1S/C24H29F3/c1-2-3-17-4-6-19(7-5-17)20-8-10-21(11-9-20)23-13-18(14-25)12-22(15-26)24(23)16-27/h8-13,17,19H,2-7,14-16H2,1H3
InChIKeyCQDPQRQXTCRRGO-UHFFFAOYSA-N
MW374.49 g/mol
LogP7.84
Rot. Bonds7

About 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene

1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 19760671) has the molecular formula C24H29F3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID19760671
Molecular FormulaC24H29F3
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3cc(CF)cc(CF)c3CF)cc2)CC1
InChIInChI=1S/C24H29F3/c1-2-3-17-4-6-19(7-5-17)20-8-10-21(11-9-20)23-13-18(14-25)12-22(15-26)24(23)16-27/h8-13,17,19H,2-7,14-16H2,1H3
InChIKeyCQDPQRQXTCRRGO-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 70305889
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
CID 162014078
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 67701116
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene (CID 19760671) is 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3cc(CF)cc(CF)c3CF)cc2)CC1.
What is the InChIKey of 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is CQDPQRQXTCRRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3/c1-2-3-17-4-6-19(7-5-17)20-8-10-21(11-9-20)23-13-18(14-25)12-22(15-26)24(23)16-27/h8-13,17,19H,2-7,14-16H2,1H3.
What are the key properties of 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene?
1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 374.49 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tris(fluoromethyl)-3-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 19760671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).