3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine

C8H15F2N — CID 169260785

IUPAC3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine
SMILESCC(C)=CNC(C)C(C)(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)5-11-7(3)8(4,9)10/h5,7,11H,1-4H3
InChIKeyYSAGRVJYBVJPRK-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.54
Rot. Bonds3

About 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine

3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine (PubChem CID 169260785) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine
PubChem CID169260785
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine
SMILESCC(C)=CNC(C)C(C)(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)5-11-7(3)8(4,9)10/h5,7,11H,1-4H3
InChIKeyYSAGRVJYBVJPRK-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Trifluoromethyl)isobutenylamine
CID 129809183
(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
CID 134257496
(E)-3,3-difluoro-N,2-dimethylprop-1-en-1-amine
CID 139563799
(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
CID 155384151
(E)-3,3-difluoro-2-methyl-3-(methylidene-lambda3-iodanyl)-N-propan-2-ylprop-1-en-1-amine
CID 165135042
(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine
CID 170033104
ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
CID 172585818
4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
CID 102613980
N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine
CID 102870155
1,1-difluoro-3-methyl-N-propylbut-3-en-2-amine
CID 103516833
1,1-difluoro-N,3-dimethylbut-3-en-2-amine
CID 103516836
1,1,1-trifluoro-3-methyl-N-propylbut-3-en-2-amine
CID 105005440

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine?
The IUPAC name of 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine (CID 169260785) is 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine.
What is the SMILES notation for 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine?
The canonical SMILES for 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine is CC(C)=CNC(C)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine?
The InChIKey is YSAGRVJYBVJPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)5-11-7(3)8(4,9)10/h5,7,11H,1-4H3.
What are the key properties of 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine?
3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine is sourced from PubChem (CID 169260785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).