2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine

C9H17F2NO — CID 91377775

IUPAC2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine
SMILESCC(F)(F)C=CCOC(C)(C)CN
InChIInChI=1S/C9H17F2NO/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-5H,6-7,12H2,1-3H3
InChIKeyBKTOCUOWCANDCC-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.95
Rot. Bonds5

About 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine

2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine (PubChem CID 91377775) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine
PubChem CID91377775
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine
SMILESCC(F)(F)C=CCOC(C)(C)CN
InChIInChI=1S/C9H17F2NO/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-5H,6-7,12H2,1-3H3
InChIKeyBKTOCUOWCANDCC-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.95
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

2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine
CID 91459142
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-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine
CID 155416966
2-[(E)-4,4-difluoropent-2-enoxy]-N,2-dimethylpropan-1-amine
CID 149092451
(5-methyl-2H-furan-5-yl)methanamine
CID 55285871
2-Methoxy-2-methylhept-3-en-1-amine
CID 165626412
2-Methoxy-2-methylhex-3-en-1-amine
CID 165706498

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine (CID 91377775) is 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine is CC(F)(F)C=CCOC(C)(C)CN.
What is the InChIKey of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine?
The InChIKey is BKTOCUOWCANDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-5H,6-7,12H2,1-3H3.
What are the key properties of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine?
2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.95, 5 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)-2-methylpropan-1-amine is sourced from PubChem (CID 91377775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).