1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane

C11H22FNO2 — CID 143627969

IUPAC1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane
SMILESC/C=C\C(OCC(O)CN)=C(/C)F.CC
InChIInChI=1S/C9H16FNO2.C2H6/c1-3-4-9(7(2)10)13-6-8(12)5-11;1-2/h3-4,8,12H,5-6,11H2,1-2H3;1-2H3/b4-3-,9-7-;
InChIKeyXAOQWRBHCREVQB-BNQJUYINSA-N
MW219.30 g/mol
LogP2.13
Rot. Bonds5

About 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane

1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane (PubChem CID 143627969) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane.

Molecular Properties

Compound Name1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane
PubChem CID143627969
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane
SMILESC/C=C\C(OCC(O)CN)=C(/C)F.CC
InChIInChI=1S/C9H16FNO2.C2H6/c1-3-4-9(7(2)10)13-6-8(12)5-11;1-2/h3-4,8,12H,5-6,11H2,1-2H3;1-2H3/b4-3-,9-7-;
InChIKeyXAOQWRBHCREVQB-BNQJUYINSA-N
XLogP2.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane with MolForge

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Launch Full Analysis

Related Compounds

1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
CID 15323033
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(Z)-1-aminohex-4-en-2-ol
CID 155394876
(3-amino-2-hydroxypropyl) carbamate
CID 87536011
(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 174950031
(3-amino-2-hydroxypropyl) hypochlorite
CID 129235335
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
CID 143146513
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
ethane;2-[3-[2-ethyl-4-[[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxymethyl]-6-methylpiperidin-1-yl]-2-hydroxypropyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 143848010
(3-but-2-enoyloxy-2-hydroxypropyl)-triethylazanium
CID 141239684
[3-[4-(3-but-2-enoyloxy-2-hydroxypropoxy)butoxy]-2-hydroxypropyl] but-2-enoate
CID 57242154

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane?
The IUPAC name of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane (CID 143627969) is 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane.
What is the SMILES notation for 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane?
The canonical SMILES for 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane is C/C=C\C(OCC(O)CN)=C(/C)F.CC.
What is the InChIKey of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane?
The InChIKey is XAOQWRBHCREVQB-BNQJUYINSA-N. The full InChI is InChI=1S/C9H16FNO2.C2H6/c1-3-4-9(7(2)10)13-6-8(12)5-11;1-2/h3-4,8,12H,5-6,11H2,1-2H3;1-2H3/b4-3-,9-7-;.
What are the key properties of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane?
1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane has a molecular weight of 219.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane is sourced from PubChem (CID 143627969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).