1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine

C8H15F2N — CID 103516833

IUPAC1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine
SMILESC=C(C)C(NCCC)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-5-11-7(6(2)3)8(9)10/h7-8,11H,2,4-5H2,1,3H3
InChIKeyLZULSLUGBVIZMB-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.20
Rot. Bonds5

About 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine

1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103516833) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103516833
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine
SMILESC=C(C)C(NCCC)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-5-11-7(6(2)3)8(9)10/h7-8,11H,2,4-5H2,1,3H3
InChIKeyLZULSLUGBVIZMB-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(2-methylallyl)butan-1-amine
CID 115518167
N-(2,2,2-trifluoroethyl)but-3-en-2-amine
CID 116145945
N-ethyl-4-fluoro-2-methylidenebutan-1-amine
CID 155190251
N-ethyl-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-en-1-amine
CID 155372991
(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
CID 155384151
3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine
CID 169260785
4-fluoro-2-methylidene-N-propylbutan-1-amine
CID 169605943
4-fluoro-2-methylidene-N-propan-2-ylbutan-1-amine
CID 169977414
(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine
CID 170033104
3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 170259901
1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine
CID 55282288
1,1,1-trifluoro-N,3-dimethylbut-3-en-2-amine
CID 55283711

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine (CID 103516833) is 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine is C=C(C)C(NCCC)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is LZULSLUGBVIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-5-11-7(6(2)3)8(9)10/h7-8,11H,2,4-5H2,1,3H3.
What are the key properties of 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine?
1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103516833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).