4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine

C21H23F4N — CID 162565754

IUPAC4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C21H23F4N/c22-20-13-15(2-1-14-3-10-18(26)11-4-14)5-12-19(20)16-6-8-17(9-7-16)21(23,24)25/h5-9,12-14,18H,1-4,10-11,26H2
InChIKeyZDDPZPBMTYDUPA-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.96
Rot. Bonds4

About 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine

4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine (PubChem CID 162565754) has the molecular formula C21H23F4N and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
PubChem CID162565754
Molecular FormulaC21H23F4N
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Name4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C21H23F4N/c22-20-13-15(2-1-14-3-10-18(26)11-4-14)5-12-19(20)16-6-8-17(9-7-16)21(23,24)25/h5-9,12-14,18H,1-4,10-11,26H2
InChIKeyZDDPZPBMTYDUPA-UHFFFAOYSA-N
XLogP5.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
2-fluoro-4-[2-(4-iodocyclohexyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]benzene
CID 154527598
2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene
CID 18653634
1,3-difluoro-5-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene-2-ide;yttrium(3+)
CID 18720734
ditritiomethane;2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 158262258
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine (CID 162565754) is 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine is NC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1.
What is the InChIKey of 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine?
The InChIKey is ZDDPZPBMTYDUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N/c22-20-13-15(2-1-14-3-10-18(26)11-4-14)5-12-19(20)16-6-8-17(9-7-16)21(23,24)25/h5-9,12-14,18H,1-4,10-11,26H2.
What are the key properties of 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine?
4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine has a molecular weight of 365.41 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 162565754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).