5,5-difluoro-N-propan-2-ylhexan-3-amine

C9H19F2N — CID 177367941

IUPAC5,5-difluoro-N-propan-2-ylhexan-3-amine
SMILESCCC(CC(C)(F)F)NC(C)C
InChIInChI=1S/C9H19F2N/c1-5-8(12-7(2)3)6-9(4,10)11/h7-8,12H,5-6H2,1-4H3
InChIKeyAMUVMPFBSGSTEZ-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.81
Rot. Bonds5

About 5,5-difluoro-N-propan-2-ylhexan-3-amine

5,5-difluoro-N-propan-2-ylhexan-3-amine (PubChem CID 177367941) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is 5,5-difluoro-N-propan-2-ylhexan-3-amine.

Molecular Properties

Compound Name5,5-difluoro-N-propan-2-ylhexan-3-amine
PubChem CID177367941
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name5,5-difluoro-N-propan-2-ylhexan-3-amine
SMILESCCC(CC(C)(F)F)NC(C)C
InChIInChI=1S/C9H19F2N/c1-5-8(12-7(2)3)6-9(4,10)11/h7-8,12H,5-6H2,1-4H3
InChIKeyAMUVMPFBSGSTEZ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-propan-2-ylhexan-3-amine?
The IUPAC name of 5,5-difluoro-N-propan-2-ylhexan-3-amine (CID 177367941) is 5,5-difluoro-N-propan-2-ylhexan-3-amine.
What is the SMILES notation for 5,5-difluoro-N-propan-2-ylhexan-3-amine?
The canonical SMILES for 5,5-difluoro-N-propan-2-ylhexan-3-amine is CCC(CC(C)(F)F)NC(C)C.
What is the InChIKey of 5,5-difluoro-N-propan-2-ylhexan-3-amine?
The InChIKey is AMUVMPFBSGSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-5-8(12-7(2)3)6-9(4,10)11/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 5,5-difluoro-N-propan-2-ylhexan-3-amine?
5,5-difluoro-N-propan-2-ylhexan-3-amine has a molecular weight of 179.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-propan-2-ylhexan-3-amine is sourced from PubChem (CID 177367941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).