3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine

C10H16FNO — CID 123394914

IUPAC3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
SMILESCC=CC=C(C)OCC(=CF)CN
InChIInChI=1S/C10H16FNO/c1-3-4-5-9(2)13-8-10(6-11)7-12/h3-6H,7-8,12H2,1-2H3
InChIKeyDRJPELNIWJNWSC-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.30
Rot. Bonds5

About 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine

3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 123394914) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
PubChem CID123394914
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
SMILESCC=CC=C(C)OCC(=CF)CN
InChIInChI=1S/C10H16FNO/c1-3-4-5-9(2)13-8-10(6-11)7-12/h3-6H,7-8,12H2,1-2H3
InChIKeyDRJPELNIWJNWSC-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.30
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

(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
3-Methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
CID 142018033
(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine
CID 142294662
(6-methyl-2H-pyran-3-yl)methanamine
CID 142957678
(2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine
CID 143367714
ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143673829
ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904398
(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine
CID 144950725
2-[[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxymethyl]prop-2-en-1-amine
CID 146512280

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine (CID 123394914) is 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine is CC=CC=C(C)OCC(=CF)CN.
What is the InChIKey of 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is DRJPELNIWJNWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-4-5-9(2)13-8-10(6-11)7-12/h3-6H,7-8,12H2,1-2H3.
What are the key properties of 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine?
3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 185.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 123394914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).