1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine

C10H18FNO — CID 90764428

IUPAC1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine
SMILESCC=C(F)C=C(C)OCC(N)CC
InChIInChI=1S/C10H18FNO/c1-4-9(11)6-8(3)13-7-10(12)5-2/h4,6,10H,5,7,12H2,1-3H3
InChIKeyALGPGQGNLWNNMH-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine

1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine (PubChem CID 90764428) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine
PubChem CID90764428
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine
SMILESCC=C(F)C=C(C)OCC(N)CC
InChIInChI=1S/C10H18FNO/c1-4-9(11)6-8(3)13-7-10(12)5-2/h4,6,10H,5,7,12H2,1-3H3
InChIKeyALGPGQGNLWNNMH-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
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

(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine
CID 173467081
2-aminobutyl 2-methylpropanoate
CID 123412425
1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol
CID 123925125
4-methylhex-4-en-3-amine
CID 123973735
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139026390
pentan-3-amine;hydroiodide
CID 173436389
(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
CID 144673111
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
2-aminobutyl hypochlorite;N,N-dimethylmethanamine
CID 88777297
2-aminobutyl nitrite
CID 87072378
1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
CID 172681009
ethenoxyethene;propane-1,1-diamine
CID 137499273

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine?
The IUPAC name of 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine (CID 90764428) is 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine.
What is the SMILES notation for 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine?
The canonical SMILES for 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine is CC=C(F)C=C(C)OCC(N)CC.
What is the InChIKey of 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine?
The InChIKey is ALGPGQGNLWNNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-9(11)6-8(3)13-7-10(12)5-2/h4,6,10H,5,7,12H2,1-3H3.
What are the key properties of 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine?
1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine has a molecular weight of 187.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine is sourced from PubChem (CID 90764428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).