(Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine

C6H10F4N2 — CID 154953522

IUPAC(Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine
SMILESCN/C(=C\NCCF)C(F)(F)F
InChIInChI=1S/C6H10F4N2/c1-11-5(6(8,9)10)4-12-3-2-7/h4,11-12H,2-3H2,1H3/b5-4-
InChIKeyMBDNZHDOQVMFQJ-PLNGDYQASA-N
MW186.15 g/mol
LogP1.17
Rot. Bonds4

About (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine

(Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 154953522) has the molecular formula C6H10F4N2 and a molecular weight of 186.15 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine
PubChem CID154953522
Molecular FormulaC6H10F4N2
Molecular Weight186.15 g/mol
Exact Mass186.08
IUPAC Name(Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine
SMILESCN/C(=C\NCCF)C(F)(F)F
InChIInChI=1S/C6H10F4N2/c1-11-5(6(8,9)10)4-12-3-2-7/h4,11-12H,2-3H2,1H3/b5-4-
InChIKeyMBDNZHDOQVMFQJ-PLNGDYQASA-N
XLogP1.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazine
CID 68888872
(Z)-3,3,3-trifluoro-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 129157915
(Z)-3,3,3-trifluoro-1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 129158230
(Z)-1,3,3,3-tetrafluoro-N-methylprop-1-en-2-amine
CID 130418378
3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
CID 131598533
(Z)-2-fluoro-N-prop-1-en-2-ylprop-1-en-1-amine
CID 131999490
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
CID 135265641
4-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazine
CID 137504418
(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
CID 139452471
N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
CID 144327432
(Z)-3,3-difluoro-2-N-methylprop-1-ene-1,2-diamine
CID 145303680

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine (CID 154953522) is (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine is CN/C(=C\NCCF)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is MBDNZHDOQVMFQJ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10F4N2/c1-11-5(6(8,9)10)4-12-3-2-7/h4,11-12H,2-3H2,1H3/b5-4-.
What are the key properties of (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine?
(Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 186.15 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 154953522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).