N-tert-butyl-3,3-difluorobutan-1-amine

C8H17F2N — CID 84652188

IUPACN-tert-butyl-3,3-difluorobutan-1-amine
SMILESCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C8H17F2N/c1-7(2,3)11-6-5-8(4,9)10/h11H,5-6H2,1-4H3
InChIKeyOIHHYMYICXRITP-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.42
Rot. Bonds3

About N-tert-butyl-3,3-difluorobutan-1-amine

N-tert-butyl-3,3-difluorobutan-1-amine (PubChem CID 84652188) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluorobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluorobutan-1-amine
PubChem CID84652188
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC NameN-tert-butyl-3,3-difluorobutan-1-amine
SMILESCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C8H17F2N/c1-7(2,3)11-6-5-8(4,9)10/h11H,5-6H2,1-4H3
InChIKeyOIHHYMYICXRITP-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluorobutan-1-amine?
The IUPAC name of N-tert-butyl-3,3-difluorobutan-1-amine (CID 84652188) is N-tert-butyl-3,3-difluorobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-difluorobutan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-difluorobutan-1-amine is CC(F)(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-difluorobutan-1-amine?
The InChIKey is OIHHYMYICXRITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-7(2,3)11-6-5-8(4,9)10/h11H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-3,3-difluorobutan-1-amine?
N-tert-butyl-3,3-difluorobutan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluorobutan-1-amine is sourced from PubChem (CID 84652188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).