N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine

C11H19F2N — CID 134177635

IUPACN-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN(C(C)F)C(C)(F)CC
InChIInChI=1S/C11H19F2N/c1-6-9(3)8-14(10(4)12)11(5,13)7-2/h6,10H,1,3,7-8H2,2,4-5H3
InChIKeyBFGMMGHQGSCCLH-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.44
Rot. Bonds6

About N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine

N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine (PubChem CID 134177635) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine.

Molecular Properties

Compound NameN-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine
PubChem CID134177635
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN(C(C)F)C(C)(F)CC
InChIInChI=1S/C11H19F2N/c1-6-9(3)8-14(10(4)12)11(5,13)7-2/h6,10H,1,3,7-8H2,2,4-5H3
InChIKeyBFGMMGHQGSCCLH-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.44
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 N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine?
The IUPAC name of N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine (CID 134177635) is N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine.
What is the SMILES notation for N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine?
The canonical SMILES for N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine is C=CC(=C)CN(C(C)F)C(C)(F)CC.
What is the InChIKey of N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine?
The InChIKey is BFGMMGHQGSCCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-6-9(3)8-14(10(4)12)11(5,13)7-2/h6,10H,1,3,7-8H2,2,4-5H3.
What are the key properties of N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine?
N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine is sourced from PubChem (CID 134177635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).