2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine

C10H19F2NO — CID 91459142

IUPAC2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)OCC=CC(C)(F)F
InChIInChI=1S/C10H19F2NO/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-6,13H,7-8H2,1-4H3
InChIKeyQSQUIDMAZNDYRC-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.21
Rot. Bonds6

About 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine

2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine (PubChem CID 91459142) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine
PubChem CID91459142
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)OCC=CC(C)(F)F
InChIInChI=1S/C10H19F2NO/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-6,13H,7-8H2,1-4H3
InChIKeyQSQUIDMAZNDYRC-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine
CID 88973540
2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine
CID 91089788
2-(4,4-Difluoropent-2-enoxy)-2-methylpropan-1-amine
CID 91377775
N-tert-butyl-2-(4,4-difluoro-5-methylhex-2-enoxy)-2-methylpropan-1-amine
CID 123891794
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-amine;ethane;molecular hydrogen
CID 144089133
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-amine
CID 144089134
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-amine;ethane
CID 144089135
2-[(E)-4,4-difluoropent-2-enoxy]-N,2-dimethylpropan-1-amine
CID 149092451
2,2-bis[(E)-but-1-enyl]morpholine
CID 68589112
2,2-Bis(but-1-enyl)morpholine
CID 68589117
2-But-1-enyl-2-methylmorpholine
CID 68590215
1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine
CID 55286490

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine (CID 91459142) is 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine is CNCC(C)(C)OCC=CC(C)(F)F.
What is the InChIKey of 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is QSQUIDMAZNDYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine?
2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 91459142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).