(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol

C8H12FNO — CID 142545660

IUPAC(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
SMILESC=C(/C=C(/CF)C(=C)O)NC
InChIInChI=1S/C8H12FNO/c1-6(10-3)4-8(5-9)7(2)11/h4,10-11H,1-2,5H2,3H3/b8-4-
InChIKeyVUWUOAHSBLXCIW-YWEYNIOJSA-N
MW157.19 g/mol
LogP1.69
Rot. Bonds4

About (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol

(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol (PubChem CID 142545660) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
PubChem CID142545660
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
SMILESC=C(/C=C(/CF)C(=C)O)NC
InChIInChI=1S/C8H12FNO/c1-6(10-3)4-8(5-9)7(2)11/h4,10-11H,1-2,5H2,3H3/b8-4-
InChIKeyVUWUOAHSBLXCIW-YWEYNIOJSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol
CID 135245737
(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol
CID 163836576
(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol
CID 142544255
1-(6-Methyl-1,2-dihydropyridin-3-yl)ethenol
CID 89985275
1-[3-(Methylamino)cyclohepta-1,3,5-trien-1-yl]ethenol
CID 139471458
(3E)-4-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 141962410
(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol;fluoromethane
CID 142544254
fluoromethane;(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 142545659
(3Z)-2-methyl-4-(methylamino)hexa-1,3,5-trien-3-ol
CID 142999523
(3Z,5E)-6-amino-3-methyl-5-(methylamino)hepta-1,3,5-trien-2-ol
CID 146288848
(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol
CID 165146242
(3E)-2-methyl-5-(methylamino)hepta-1,3,5-trien-3-ol
CID 172388247

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol (CID 142545660) is (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol is C=C(/C=C(/CF)C(=C)O)NC.
What is the InChIKey of (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol?
The InChIKey is VUWUOAHSBLXCIW-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6(10-3)4-8(5-9)7(2)11/h4,10-11H,1-2,5H2,3H3/b8-4-.
What are the key properties of (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol?
(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol has a molecular weight of 157.19 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 142545660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).