[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine

C13H14F4N2 — CID 114489481

IUPAC[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CC=C(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C13H14F4N2/c14-11-7-9(8-18)1-2-12(11)19-5-3-10(4-6-19)13(15,16)17/h1-3,7H,4-6,8,18H2
InChIKeyUZLKUHXZUPHWIE-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.98
Rot. Bonds2

About [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine

[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine (PubChem CID 114489481) has the molecular formula C13H14F4N2 and a molecular weight of 274.26 g/mol. Its IUPAC name is [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
PubChem CID114489481
Molecular FormulaC13H14F4N2
Molecular Weight274.26 g/mol
Exact Mass274.11
IUPAC Name[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CC=C(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C13H14F4N2/c14-11-7-9(8-18)1-2-12(11)19-5-3-10(4-6-19)13(15,16)17/h1-3,7H,4-6,8,18H2
InChIKeyUZLKUHXZUPHWIE-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489692
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114490086
[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
CID 114459794
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490352
[4-bromo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114900813
[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
CID 114489498
5-fluoro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile
CID 115770303
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
CID 63156540
[2-ethylsulfanyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489474
4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]benzaldehyde
CID 114844593
1-[3-chloro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490342

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine (CID 114489481) is [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine is NCc1ccc(N2CC=C(C(F)(F)F)CC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine?
The InChIKey is UZLKUHXZUPHWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2/c14-11-7-9(8-18)1-2-12(11)19-5-3-10(4-6-19)13(15,16)17/h1-3,7H,4-6,8,18H2.
What are the key properties of [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine?
[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine has a molecular weight of 274.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine is sourced from PubChem (CID 114489481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).