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

C7H10FNO — CID 142544255

IUPAC(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/CF)C(=C)O
InChIInChI=1S/C7H10FNO/c1-5(9)3-7(4-8)6(2)10/h3,10H,1-2,4,9H2/b7-3-
InChIKeyVLAZMUWMZIXQCY-CLTKARDFSA-N
MW143.16 g/mol
LogP1.43
Rot. Bonds3

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

(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol (PubChem CID 142544255) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol
PubChem CID142544255
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/CF)C(=C)O
InChIInChI=1S/C7H10FNO/c1-5(9)3-7(4-8)6(2)10/h3,10H,1-2,4,9H2/b7-3-
InChIKeyVLAZMUWMZIXQCY-CLTKARDFSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.43
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

(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol
CID 143436396
(3E)-5-amino-4-fluorohexa-1,3,5-trien-2-ol
CID 144251329
5-Amino-7-fluorocyclohepta-1,4,6-trien-1-ol
CID 156715066
(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 142545660
(3E)-5-amino-4-(trifluoromethyl)hexa-1,3,5-trien-2-ol
CID 143962490
(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol;fluoromethane
CID 142544254
(3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol
CID 143879016
(3E)-5-amino-2-methylhexa-1,3,5-trien-3-ol
CID 145503043
[(3Z)-5-hydroxy-4-methylhexa-1,3,5-trien-2-yl]azanium
CID 145586010
(3Z)-5-amino-4-methylhexa-1,3,5-trien-2-ol
CID 145586015
3-Methylpenta-1,3-dien-2-amine;3-methylpenta-1,3-dien-2-ol
CID 158686645
(2E,4Z)-6-amino-4-methylhepta-2,4,6-trien-3-ol
CID 164035385

Frequently Asked Questions

What is the IUPAC name of (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol (CID 142544255) is (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol is C=C(N)/C=C(/CF)C(=C)O.
What is the InChIKey of (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol?
The InChIKey is VLAZMUWMZIXQCY-CLTKARDFSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5(9)3-7(4-8)6(2)10/h3,10H,1-2,4,9H2/b7-3-.
What are the key properties of (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol?
(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol has a molecular weight of 143.16 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 142544255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).