(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine

C11H18FN — CID 163993570

IUPAC(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine
SMILESC=C(N)[C@@H](F)CC(/C=C\C)=C(C)C
InChIInChI=1S/C11H18FN/c1-5-6-10(8(2)3)7-11(12)9(4)13/h5-6,11H,4,7,13H2,1-3H3/b6-5-/t11-/m0/s1
InChIKeyUCSLIWDPHIMGPM-GZTOBOFZSA-N
MW183.27 g/mol
LogP3.10
Rot. Bonds4

About (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine

(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine (PubChem CID 163993570) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine.

Molecular Properties

Compound Name(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine
PubChem CID163993570
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine
SMILESC=C(N)[C@@H](F)CC(/C=C\C)=C(C)C
InChIInChI=1S/C11H18FN/c1-5-6-10(8(2)3)7-11(12)9(4)13/h5-6,11H,4,7,13H2,1-3H3/b6-5-/t11-/m0/s1
InChIKeyUCSLIWDPHIMGPM-GZTOBOFZSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-ethylidene-6-propan-2-ylidenenona-1,7-diene
CID 91411455
(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
CID 130331308
3-(methoxymethyl)-2-methylhexa-2,4-diene
CID 123167394
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
(2Z,4E)-7-methylocta-2,4,7-trien-4-amine
CID 89010551
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
(3Z)-5-propan-2-ylidenenona-1,3,8-triene-2,7-diol
CID 88529646
(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
CID 138613612
4-(1-chloroethylidene)hept-5-en-2-yl carbamate
CID 123928018
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
CID 143375975

Frequently Asked Questions

What is the IUPAC name of (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine?
The IUPAC name of (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine (CID 163993570) is (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine.
What is the SMILES notation for (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine?
The canonical SMILES for (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine is C=C(N)[C@@H](F)CC(/C=C\C)=C(C)C.
What is the InChIKey of (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine?
The InChIKey is UCSLIWDPHIMGPM-GZTOBOFZSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-6-10(8(2)3)7-11(12)9(4)13/h5-6,11H,4,7,13H2,1-3H3/b6-5-/t11-/m0/s1.
What are the key properties of (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine?
(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine is sourced from PubChem (CID 163993570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).