(2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine

C11H19F2N — CID 167188073

IUPAC(2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine
SMILESCC=C/C=C(/C(F)F)N(C)CC(C)C
InChIInChI=1S/C11H19F2N/c1-5-6-7-10(11(12)13)14(4)8-9(2)3/h5-7,9,11H,8H2,1-4H3/b6-5?,10-7-
InChIKeyQNCBBEHXDSWMGO-NMVVBPQGSA-N
MW203.28 g/mol
LogP3.30
Rot. Bonds5

About (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine

(2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine (PubChem CID 167188073) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine
PubChem CID167188073
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine
SMILESCC=C/C=C(/C(F)F)N(C)CC(C)C
InChIInChI=1S/C11H19F2N/c1-5-6-7-10(11(12)13)14(4)8-9(2)3/h5-7,9,11H,8H2,1-4H3/b6-5?,10-7-
InChIKeyQNCBBEHXDSWMGO-NMVVBPQGSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine (CID 167188073) is (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine is CC=C/C=C(/C(F)F)N(C)CC(C)C.
What is the InChIKey of (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine?
The InChIKey is QNCBBEHXDSWMGO-NMVVBPQGSA-N. The full InChI is InChI=1S/C11H19F2N/c1-5-6-7-10(11(12)13)14(4)8-9(2)3/h5-7,9,11H,8H2,1-4H3/b6-5?,10-7-.
What are the key properties of (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine?
(2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine has a molecular weight of 203.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine is sourced from PubChem (CID 167188073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).