(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine

C9H14FN — CID 163955206

IUPAC(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine
SMILESC=CC(=C)N/C=C(/C)[C@@H](C)F
InChIInChI=1S/C9H14FN/c1-5-8(3)11-6-7(2)9(4)10/h5-6,9,11H,1,3H2,2,4H3/b7-6-/t9-/m1/s1
InChIKeySCTIMDAOAQGHIE-ATJFRQLMSA-N
MW155.22 g/mol
LogP2.54
Rot. Bonds4

About (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine

(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine (PubChem CID 163955206) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine
PubChem CID163955206
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine
SMILESC=CC(=C)N/C=C(/C)[C@@H](C)F
InChIInChI=1S/C9H14FN/c1-5-8(3)11-6-7(2)9(4)10/h5-6,9,11H,1,3H2,2,4H3/b7-6-/t9-/m1/s1
InChIKeySCTIMDAOAQGHIE-ATJFRQLMSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Fluoro-4-methyl-1,2-dihydropyridine
CID 89245132
(2R)-2-fluoro-4-methyl-1,2-dihydropyridine
CID 118478982
(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
CID 130321519
(Z)-2-fluoro-3-methyl-N-prop-1-en-2-ylbut-1-en-1-amine
CID 131999448
3-fluoro-4-methyl-2-methylidene-1H-pyridine
CID 134432270
(1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine
CID 139426936
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 142956605
(3E)-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143206128
(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
CID 143782128
(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine
CID 144983839
(2Z)-2-(1-fluoro-2-methylprop-2-enylidene)-3-methylidene-1H-pyrrole
CID 145117775
(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole
CID 154678389

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine?
The IUPAC name of (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine (CID 163955206) is (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine.
What is the SMILES notation for (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine?
The canonical SMILES for (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine is C=CC(=C)N/C=C(/C)[C@@H](C)F.
What is the InChIKey of (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine?
The InChIKey is SCTIMDAOAQGHIE-ATJFRQLMSA-N. The full InChI is InChI=1S/C9H14FN/c1-5-8(3)11-6-7(2)9(4)10/h5-6,9,11H,1,3H2,2,4H3/b7-6-/t9-/m1/s1.
What are the key properties of (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine?
(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine is sourced from PubChem (CID 163955206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).