(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine

C9H14F3N3 — CID 144724033

IUPAC(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine
SMILESC/C=C(\N)C1C=CC=CN1.NC(F)(F)F
InChIInChI=1S/C8H12N2.CH2F3N/c1-2-7(9)8-5-3-4-6-10-8;2-1(3,4)5/h2-6,8,10H,9H2,1H3;5H2/b7-2-;
InChIKeyLVWFETLEWYICTN-YMWUIOJXSA-N
MW221.23 g/mol
LogP1.36
Rot. Bonds1

About (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine

(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine (PubChem CID 144724033) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine.

Molecular Properties

Compound Name(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine
PubChem CID144724033
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine
SMILESC/C=C(\N)C1C=CC=CN1.NC(F)(F)F
InChIInChI=1S/C8H12N2.CH2F3N/c1-2-7(9)8-5-3-4-6-10-8;2-1(3,4)5/h2-6,8,10H,9H2,1H3;5H2/b7-2-;
InChIKeyLVWFETLEWYICTN-YMWUIOJXSA-N
XLogP1.36
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Trifluoromethyl-1,2-dihydroazine
CID 18539792
2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine
CID 67600336
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine
CID 89361435
2-Methyl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 118214483
5-N,1-dimethyl-2-(trifluoromethyl)-2H-pyridine-4,5-diamine
CID 118865384
N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine
CID 118889333
N-[[2-(difluoromethyl)-1,2-dihydropyridin-6-yl]methyl]cyclopropanamine
CID 118889345
6-Propan-2-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 126671560
6-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 126694951
2-Methyl-4-(trifluoromethyl)-1,2-dihydropyridine
CID 129054060
1-cyclopropyl-5-N-methyl-2-(trifluoromethyl)-2H-pyridine-4,5-diamine
CID 129164640

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine?
The IUPAC name of (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine (CID 144724033) is (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine.
What is the SMILES notation for (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine?
The canonical SMILES for (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine is C/C=C(\N)C1C=CC=CN1.NC(F)(F)F.
What is the InChIKey of (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine?
The InChIKey is LVWFETLEWYICTN-YMWUIOJXSA-N. The full InChI is InChI=1S/C8H12N2.CH2F3N/c1-2-7(9)8-5-3-4-6-10-8;2-1(3,4)5/h2-6,8,10H,9H2,1H3;5H2/b7-2-;.
What are the key properties of (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine?
(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine has a molecular weight of 221.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine is sourced from PubChem (CID 144724033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).