4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine

C18H24F3N — CID 152934815

IUPAC4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine
SMILESNC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C18H24F3N/c19-16-9-14(10-17(20)18(16)21)13-3-1-11(2-4-13)12-5-7-15(22)8-6-12/h9-13,15H,1-8,22H2
InChIKeyULQVQNCWLKCUIP-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.90
Rot. Bonds2

About 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine

4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 152934815) has the molecular formula C18H24F3N and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine
PubChem CID152934815
Molecular FormulaC18H24F3N
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine
SMILESNC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C18H24F3N/c19-16-9-14(10-17(20)18(16)21)13-3-1-11(2-4-13)12-5-7-15(22)8-6-12/h9-13,15H,1-8,22H2
InChIKeyULQVQNCWLKCUIP-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
CID 134447912
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
1-chloro-4-(4-cyclohexylcyclohexyl)benzene;5-(4-cyclohexylcyclohexyl)-1,2,3-trifluorobenzene
CID 144554072
8-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 58609061
1,2,3-trifluoro-5-[4-(4-hex-2-enylcyclohexyl)cyclohexyl]benzene
CID 54188231
1,2,3-trifluoro-5-[4-[4-[(E)-hex-2-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589936
1,2,3-trifluoro-5-[4-(3-heptylcyclobutyl)cyclohexyl]benzene
CID 67789259
5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 144764100
1,2,3-trifluoro-5-[4-[4-[(E)-6-fluorohex-2-enyl]cyclohexyl]cyclohexyl]benzene
CID 19695248
1,2,3-trifluoro-5-[4-(4-hexa-3,5-dienylcyclohexyl)cyclohexyl]benzene
CID 54186693
1,2,3-trifluoro-5-[4-[4-[(E)-oct-4-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589726

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine (CID 152934815) is 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine is NC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is ULQVQNCWLKCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N/c19-16-9-14(10-17(20)18(16)21)13-3-1-11(2-4-13)12-5-7-15(22)8-6-12/h9-13,15H,1-8,22H2.
What are the key properties of 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine?
4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 311.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 152934815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).