1,1-difluoro-4-(oxolan-2-yl)butan-2-amine

C8H15F2NO — CID 103516728

IUPAC1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)C(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)7(11)4-3-6-2-1-5-12-6/h6-8H,1-5,11H2
InChIKeyGATGINIGLBHZBF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.54
Rot. Bonds4

About 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine

1,1-difluoro-4-(oxolan-2-yl)butan-2-amine (PubChem CID 103516728) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
PubChem CID103516728
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)C(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)7(11)4-3-6-2-1-5-12-6/h6-8H,1-5,11H2
InChIKeyGATGINIGLBHZBF-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-cyclohexyl-1-methoxy-4-(oxolan-2-yl)butan-2-amine
CID 116771262
4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
CID 65161981
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine (CID 103516728) is 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine is NC(CCC1CCCO1)C(F)F.
What is the InChIKey of 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is GATGINIGLBHZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)7(11)4-3-6-2-1-5-12-6/h6-8H,1-5,11H2.
What are the key properties of 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine?
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 179.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 103516728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).