(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol

C8H14FNO — CID 163836576

IUPAC(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol
SMILESC=C(/C=C\C(C)(O)F)NCC
InChIInChI=1S/C8H14FNO/c1-4-10-7(2)5-6-8(3,9)11/h5-6,10-11H,2,4H2,1,3H3/b6-5-
InChIKeyOIGOMICEWKNSFM-WAYWQWQTSA-N
MW159.20 g/mol
LogP1.34
Rot. Bonds4

About (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol

(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol (PubChem CID 163836576) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol
PubChem CID163836576
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol
SMILESC=C(/C=C\C(C)(O)F)NCC
InChIInChI=1S/C8H14FNO/c1-4-10-7(2)5-6-8(3,9)11/h5-6,10-11H,2,4H2,1,3H3/b6-5-
InChIKeyOIGOMICEWKNSFM-WAYWQWQTSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68468748
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6-Fluoro-2-methyl-1,2-dihydropyridin-5-ol
CID 141872475
2,5-Difluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,8-tetraen-3-ol
CID 156395867
1-[2-(Trifluoromethyl)-1,2-dihydropyridin-6-yl]ethenol
CID 156396146
5-Fluoro-5-methyl-3-(propan-2-ylamino)cyclohepta-1,3,6-trien-1-ol
CID 168199361
(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 142545660
(2S)-2-methyl-1H-pyridin-2-ol
CID 69607434
(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
CID 90295812
2,6-Dimethyl-1,2-dihydropyridin-4-ol
CID 118457583
(3E)-4-(ethenylamino)hexa-1,3-dien-2-ol
CID 139480973
5-amino-2-methyl-1H-pyridin-2-ol
CID 141610522

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol?
The IUPAC name of (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol (CID 163836576) is (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol.
What is the SMILES notation for (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol?
The canonical SMILES for (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol is C=C(/C=C\C(C)(O)F)NCC.
What is the InChIKey of (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol?
The InChIKey is OIGOMICEWKNSFM-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14FNO/c1-4-10-7(2)5-6-8(3,9)11/h5-6,10-11H,2,4H2,1,3H3/b6-5-.
What are the key properties of (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol?
(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol has a molecular weight of 159.20 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol is sourced from PubChem (CID 163836576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).