N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline

C13H13F4N — CID 113238887

IUPACN-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline
SMILESFc1cc(C(F)(F)F)ccc1NC1CC=CCC1
InChIInChI=1S/C13H13F4N/c14-11-8-9(13(15,16)17)6-7-12(11)18-10-4-2-1-3-5-10/h1-2,6-8,10,18H,3-5H2
InChIKeySZSMBUDAIJCBJV-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.37
Rot. Bonds2

About N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline

N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 113238887) has the molecular formula C13H13F4N and a molecular weight of 259.25 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID113238887
Molecular FormulaC13H13F4N
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline
SMILESFc1cc(C(F)(F)F)ccc1NC1CC=CCC1
InChIInChI=1S/C13H13F4N/c14-11-8-9(13(15,16)17)6-7-12(11)18-10-4-2-1-3-5-10/h1-2,6-8,10,18H,3-5H2
InChIKeySZSMBUDAIJCBJV-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
N-[2-fluoro-4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 103704322
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 66331048
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
CID 103873048
N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303636
N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303637
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
CID 107303866
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,1-dioxothian-4-amine
CID 63037005
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107303892

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline (CID 113238887) is N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline is Fc1cc(C(F)(F)F)ccc1NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is SZSMBUDAIJCBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N/c14-11-8-9(13(15,16)17)6-7-12(11)18-10-4-2-1-3-5-10/h1-2,6-8,10,18H,3-5H2.
What are the key properties of N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline?
N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 259.25 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 113238887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).