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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Related Compounds

CID 3312177
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CID 11806562
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CID 15105667
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CID 9989828
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CID 15187677
CID 15187677
CID 10103496
CID 10103496
CID 13510100
CID 13510100
CID 20687155
CID 20687155
CID 20687192
CID 20687192
CID 20811852
CID 20811852
CID 21200869
CID 21200869
CID 57486587
CID 57486587

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).