3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine

C14H18F3N — CID 115516339

IUPAC3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
SMILESFC(F)(F)CCCNC1CC(c2ccccc2)C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)7-4-8-18-13-9-12(10-13)11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2
InChIKeyMDGOKYZXKFBYGP-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.86
Rot. Bonds5

About 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine

3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine (PubChem CID 115516339) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
PubChem CID115516339
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
SMILESFC(F)(F)CCCNC1CC(c2ccccc2)C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)7-4-8-18-13-9-12(10-13)11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2
InChIKeyMDGOKYZXKFBYGP-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
CID 104926345
3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115516703
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
3-[(3-phenylcyclobutyl)amino]propanenitrile
CID 43632270
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
CID 102676035
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
3-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64548273

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
The IUPAC name of 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine (CID 115516339) is 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
The canonical SMILES for 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine is FC(F)(F)CCCNC1CC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
The InChIKey is MDGOKYZXKFBYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)7-4-8-18-13-9-12(10-13)11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2.
What are the key properties of 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine is sourced from PubChem (CID 115516339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).