(1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine

C8H14FN — CID 167154099

IUPAC(1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C\N(C)C(C)F
InChIInChI=1S/C8H14FN/c1-5-7(2)6-10(4)8(3)9/h5-6,8H,1H2,2-4H3/b7-6-
InChIKeyBYHTYLSBBMGGHD-SREVYHEPSA-N
MW143.21 g/mol
LogP2.32
Rot. Bonds3

About (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine

(1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine (PubChem CID 167154099) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine
PubChem CID167154099
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name(1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C\N(C)C(C)F
InChIInChI=1S/C8H14FN/c1-5-7(2)6-10(4)8(3)9/h5-6,8H,1H2,2-4H3/b7-6-
InChIKeyBYHTYLSBBMGGHD-SREVYHEPSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine (CID 167154099) is (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine is C=C/C(C)=C\N(C)C(C)F.
What is the InChIKey of (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine?
The InChIKey is BYHTYLSBBMGGHD-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14FN/c1-5-7(2)6-10(4)8(3)9/h5-6,8H,1H2,2-4H3/b7-6-.
What are the key properties of (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine?
(1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine has a molecular weight of 143.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(1-fluoroethyl)-N,2-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 167154099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).