1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene

C19H18F4 — CID 59938749

IUPAC1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
SMILESFCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H18F4/c20-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-9-17(21)19(23)18(22)10-16/h5-10,12-13H,1-4,11H2
InChIKeyBUBTXKRGDAYSTA-UHFFFAOYSA-N
MW322.35 g/mol
LogP6.01
Rot. Bonds3

About 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene

1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene (PubChem CID 59938749) has the molecular formula C19H18F4 and a molecular weight of 322.35 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
PubChem CID59938749
Molecular FormulaC19H18F4
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
SMILESFCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H18F4/c20-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-9-17(21)19(23)18(22)10-16/h5-10,12-13H,1-4,11H2
InChIKeyBUBTXKRGDAYSTA-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.35
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]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

5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67685950
5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67686334
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
CID 162030737
CID 162030737
2-propyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384631
1,3-difluoro-5-[4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 163936290
4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol
CID 20663575
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-[4-(methoxymethyl)cyclohexyl]phenyl]benzene
CID 134222832
2-heptyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384775

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene (CID 59938749) is 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene is FCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene?
The InChIKey is BUBTXKRGDAYSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4/c20-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-9-17(21)19(23)18(22)10-16/h5-10,12-13H,1-4,11H2.
What are the key properties of 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene?
1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene has a molecular weight of 322.35 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 59938749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).