(4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine

C10H16FN — CID 143173535

IUPAC(4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(CCN)=C(C)C
InChIInChI=1S/C10H16FN/c1-4-5-10(11)9(6-7-12)8(2)3/h4-5H,1,6-7,12H2,2-3H3/b10-5+
InChIKeyWSTHLACUEAAQST-BJMVGYQFSA-N
MW169.24 g/mol
LogP2.71
Rot. Bonds4

About (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine

(4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine (PubChem CID 143173535) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine
PubChem CID143173535
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(CCN)=C(C)C
InChIInChI=1S/C10H16FN/c1-4-5-10(11)9(6-7-12)8(2)3/h4-5H,1,6-7,12H2,2-3H3/b10-5+
InChIKeyWSTHLACUEAAQST-BJMVGYQFSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dihydrophenylethyl-amine
CID 21074092
(4E,6E)-octa-4,6-dien-1-amine
CID 55290579
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
2-(4-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 89024296
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(Z)-2-ethyl-5-fluorohex-3-en-1-amine
CID 89090863
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(4Z)-2,6-difluorohepta-4,6-dien-1-amine
CID 89154005

Frequently Asked Questions

What is the IUPAC name of (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine (CID 143173535) is (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine is C=C/C=C(/F)C(CCN)=C(C)C.
What is the InChIKey of (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The InChIKey is WSTHLACUEAAQST-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-5-10(11)9(6-7-12)8(2)3/h4-5H,1,6-7,12H2,2-3H3/b10-5+.
What are the key properties of (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine?
(4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-3-propan-2-ylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 143173535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).