(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine

C9H14F3NO — CID 155470395

IUPAC(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)OC)NC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-8(13-9(10,11)12)6-5-7(2)14-3/h4-7,13H,1-3H3/b6-5-,8-4+
InChIKeyGMQSUGRYPFRVKU-QNMAEOQASA-N
MW209.21 g/mol
LogP2.59
Rot. Bonds4

About (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine

(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine (PubChem CID 155470395) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
PubChem CID155470395
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)OC)NC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-8(13-9(10,11)12)6-5-7(2)14-3/h4-7,13H,1-3H3/b6-5-,8-4+
InChIKeyGMQSUGRYPFRVKU-QNMAEOQASA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene
CID 143089763
(Z)-5-methoxyhex-3-en-2-imine
CID 123705474
(2Z,4E)-6-methoxyhepta-2,4-diene
CID 58952970
(2S)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 10986261
(2R)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 14272779
(3E)-5-methoxyhexa-1,3-diene
CID 13463245
2,2,2-trifluoro-1-methoxyethanol
CID 9892
(E,4S)-4-methoxypent-2-enenitrile
CID 100950692
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
methyl N'-(propan-2-ylcarbamoyl)-N-(trifluoromethylcarbamoyl)carbamimidate
CID 54294108
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
1,1,1-trifluoropropan-2-yl but-2-enoate
CID 174544413

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine (CID 155470395) is (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine is C/C=C(\C=C/C(C)OC)NC(F)(F)F.
What is the InChIKey of (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine?
The InChIKey is GMQSUGRYPFRVKU-QNMAEOQASA-N. The full InChI is InChI=1S/C9H14F3NO/c1-4-8(13-9(10,11)12)6-5-7(2)14-3/h4-7,13H,1-3H3/b6-5-,8-4+.
What are the key properties of (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine?
(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine has a molecular weight of 209.21 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine is sourced from PubChem (CID 155470395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).