1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine

C10H21F2N — CID 135082782

IUPAC1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(C(C)C)C(F)(F)C(C)C
InChIInChI=1S/C10H21F2N/c1-7(2)10(11,12)13(8(3)4)9(5)6/h7-9H,1-6H3
InChIKeyDCJZDWQHESKMRK-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.35
Rot. Bonds4

About 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine

1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 135082782) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
PubChem CID135082782
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(C(C)C)C(F)(F)C(C)C
InChIInChI=1S/C10H21F2N/c1-7(2)10(11,12)13(8(3)4)9(5)6/h7-9H,1-6H3
InChIKeyDCJZDWQHESKMRK-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine (CID 135082782) is 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(C(C)C)C(F)(F)C(C)C.
What is the InChIKey of 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is DCJZDWQHESKMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-7(2)10(11,12)13(8(3)4)9(5)6/h7-9H,1-6H3.
What are the key properties of 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine?
1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 135082782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).