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

C6H11F3N2 — CID 135265641

IUPAC(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
SMILESCCN(C)/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-3-11(2)4-5(10)6(7,8)9/h4H,3,10H2,1-2H3/b5-4-
InChIKeyVBEVEEPQCAMCRN-PLNGDYQASA-N
MW168.16 g/mol
LogP1.30
Rot. Bonds2

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

(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine (PubChem CID 135265641) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
PubChem CID135265641
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
SMILESCCN(C)/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-3-11(2)4-5(10)6(7,8)9/h4H,3,10H2,1-2H3/b5-4-
InChIKeyVBEVEEPQCAMCRN-PLNGDYQASA-N
XLogP1.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine
CID 126515333
(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methylideneamino)prop-1-en-1-amine
CID 129069787
(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
(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine
CID 130282978
(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
CID 139452471
(Z)-3,3-difluoro-2-N-methylprop-1-ene-1,2-diamine
CID 145303680
(Z)-3,3,3-trifluoro-1-N,1-N-dimethylprop-1-ene-1,2-diamine
CID 145429871
(Z)-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
CID 148321573
(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
CID 154953422
(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
CID 154953461
(Z)-3,3,3-trifluoro-1-N-(2-fluoroethyl)-2-N-methylprop-1-ene-1,2-diamine
CID 154953522

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine (CID 135265641) is (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine is CCN(C)/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
The InChIKey is VBEVEEPQCAMCRN-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11F3N2/c1-3-11(2)4-5(10)6(7,8)9/h4H,3,10H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine has a molecular weight of 168.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 135265641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).