4,4-difluoro-N-(2-fluoroethyl)butan-2-amine

C6H12F3N — CID 130643475

IUPAC4,4-difluoro-N-(2-fluoroethyl)butan-2-amine
SMILESCC(CC(F)F)NCCF
InChIInChI=1S/C6H12F3N/c1-5(4-6(8)9)10-3-2-7/h5-6,10H,2-4H2,1H3
InChIKeyCBZFFJKGBMFFHC-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.59
Rot. Bonds5

About 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine

4,4-difluoro-N-(2-fluoroethyl)butan-2-amine (PubChem CID 130643475) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine.

Molecular Properties

Compound Name4,4-difluoro-N-(2-fluoroethyl)butan-2-amine
PubChem CID130643475
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name4,4-difluoro-N-(2-fluoroethyl)butan-2-amine
SMILESCC(CC(F)F)NCCF
InChIInChI=1S/C6H12F3N/c1-5(4-6(8)9)10-3-2-7/h5-6,10H,2-4H2,1H3
InChIKeyCBZFFJKGBMFFHC-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
CID 103082762
N-(3-fluoropropyl)butan-2-amine
CID 81107286
N-(2-fluoroethyl)-1-morpholin-4-ylpropan-2-amine
CID 80694695
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
CID 131212065
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine
CID 130504617

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine?
The IUPAC name of 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine (CID 130643475) is 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine.
What is the SMILES notation for 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine?
The canonical SMILES for 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine is CC(CC(F)F)NCCF.
What is the InChIKey of 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine?
The InChIKey is CBZFFJKGBMFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-5(4-6(8)9)10-3-2-7/h5-6,10H,2-4H2,1H3.
What are the key properties of 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine?
4,4-difluoro-N-(2-fluoroethyl)butan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-fluoroethyl)butan-2-amine is sourced from PubChem (CID 130643475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).