1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine

C11H11F4N — CID 117337426

IUPAC1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2F)CCC1
InChIInChI=1S/C11H11F4N/c12-9-6-7(11(13,14)15)2-3-8(9)10(16)4-1-5-10/h2-3,6H,1,4-5,16H2
InChIKeyTVTOIHJLKGWTMC-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.18
Rot. Bonds1

About 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine

1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine (PubChem CID 117337426) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
PubChem CID117337426
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2F)CCC1
InChIInChI=1S/C11H11F4N/c12-9-6-7(11(13,14)15)2-3-8(9)10(16)4-1-5-10/h2-3,6H,1,4-5,16H2
InChIKeyTVTOIHJLKGWTMC-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Fluorophenyl)cyclohexan-1-amine
CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864
Cumylamine
CID 68509
1-Phenylcyclopentylamine
CID 167651
1-Phenyl-cyclopropylamine
CID 194549
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzylamine
CID 16211122
1-(3-Fluorophenyl)cyclohexylamine
CID 3035993
1-(4-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259868
Benzeneethanamine, alpha,alpha-dimethyl-4-(trifluoromethyl)-, hydrochloride
CID 120993
1-[3-(Trifluoromethyl)phenyl]cyclohexan-1-amine hydrochloride
CID 21534494
1-Phenylcyclobutylamine
CID 152214
2-(4-Methylphenyl)propan-2-amine
CID 584050

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine (CID 117337426) is 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine is NC1(c2ccc(C(F)(F)F)cc2F)CCC1.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The InChIKey is TVTOIHJLKGWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-9-6-7(11(13,14)15)2-3-8(9)10(16)4-1-5-10/h2-3,6H,1,4-5,16H2.
What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine has a molecular weight of 233.21 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117337426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).