(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine

C8H11F3N2 — CID 86336949

IUPAC(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
SMILESC=N/C(=C\C=C/C)[C@@H](N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-5-6(13-2)7(12)8(9,10)11/h3-5,7H,2,12H2,1H3/b4-3-,6-5-/t7-/m1/s1
InChIKeySPRYUCXRBPDZQM-XYXUCSIASA-N
MW192.18 g/mol
LogP2.04
Rot. Bonds3

About (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine

(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine (PubChem CID 86336949) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
PubChem CID86336949
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
SMILESC=N/C(=C\C=C/C)[C@@H](N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-5-6(13-2)7(12)8(9,10)11/h3-5,7H,2,12H2,1H3/b4-3-,6-5-/t7-/m1/s1
InChIKeySPRYUCXRBPDZQM-XYXUCSIASA-N
XLogP2.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 145224791
(3Z,5Z)-1,1,1-Trifluoro-N3-methylenehepta-3,5-diene-2,3-diamine
CID 72206905
(2S,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 86336948
(3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine
CID 144731122
N'-[(3Z,5Z)-8,8-difluoroocta-1,3,5-trien-3-yl]methanimidamide
CID 164558249
(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine
CID 143713031
(3Z)-3-(methylideneamino)hexa-3,5-dien-2-amine
CID 153583704
(2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 167214634

Frequently Asked Questions

What is the IUPAC name of (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine?
The IUPAC name of (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine (CID 86336949) is (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine.
What is the SMILES notation for (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine?
The canonical SMILES for (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine is C=N/C(=C\C=C/C)[C@@H](N)C(F)(F)F.
What is the InChIKey of (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine?
The InChIKey is SPRYUCXRBPDZQM-XYXUCSIASA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-4-5-6(13-2)7(12)8(9,10)11/h3-5,7H,2,12H2,1H3/b4-3-,6-5-/t7-/m1/s1.
What are the key properties of (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine?
(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine has a molecular weight of 192.18 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine is sourced from PubChem (CID 86336949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).