(2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine

C10H12FNO — CID 174307651

IUPAC(2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine
SMILESC/C=C\C(N)=C/C(F)c1ccco1
InChIInChI=1S/C10H12FNO/c1-2-4-8(12)7-9(11)10-5-3-6-13-10/h2-7,9H,12H2,1H3/b4-2-,8-7+
InChIKeyRGIPKFDTLXBVNH-NJHWQUGTSA-N
MW181.21 g/mol
LogP2.71
Rot. Bonds3

About (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine

(2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine (PubChem CID 174307651) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine
PubChem CID174307651
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine
SMILESC/C=C\C(N)=C/C(F)c1ccco1
InChIInChI=1S/C10H12FNO/c1-2-4-8(12)7-9(11)10-5-3-6-13-10/h2-7,9H,12H2,1H3/b4-2-,8-7+
InChIKeyRGIPKFDTLXBVNH-NJHWQUGTSA-N
XLogP2.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(furan-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105213697
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
2-(furan-2-yl)propanamide;hydrochloride
CID 69414482
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
CID 7171782
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
1-(furan-2-yl)-4-methylpent-3-en-1-ol
CID 15350980
(E)-1-(furan-2-yl)pent-3-ene-1,2-dione
CID 70521586
3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine
CID 103309644
1-(furan-2-yl)propane-1-thiol
CID 62631809
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
2-amino-2-(furan-2-yl)ethanol
CID 54048773
3-(furan-2-yl)pentane-2,4-dione
CID 12548240

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine (CID 174307651) is (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine is C/C=C\C(N)=C/C(F)c1ccco1.
What is the InChIKey of (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine?
The InChIKey is RGIPKFDTLXBVNH-NJHWQUGTSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-4-8(12)7-9(11)10-5-3-6-13-10/h2-7,9H,12H2,1H3/b4-2-,8-7+.
What are the key properties of (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine?
(2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine has a molecular weight of 181.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-fluoro-1-(furan-2-yl)hexa-2,4-dien-3-amine is sourced from PubChem (CID 174307651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).