3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine

C9H19F2NO — CID 167254115

IUPAC3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine
SMILESCNCCC(F)(F)CCOC(C)C
InChIInChI=1S/C9H19F2NO/c1-8(2)13-7-5-9(10,11)4-6-12-3/h8,12H,4-7H2,1-3H3
InChIKeyDNWHZNFKJQYWPP-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds7

About 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine

3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine (PubChem CID 167254115) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine
PubChem CID167254115
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine
SMILESCNCCC(F)(F)CCOC(C)C
InChIInChI=1S/C9H19F2NO/c1-8(2)13-7-5-9(10,11)4-6-12-3/h8,12H,4-7H2,1-3H3
InChIKeyDNWHZNFKJQYWPP-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine (CID 167254115) is 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine is CNCCC(F)(F)CCOC(C)C.
What is the InChIKey of 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine?
The InChIKey is DNWHZNFKJQYWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(2)13-7-5-9(10,11)4-6-12-3/h8,12H,4-7H2,1-3H3.
What are the key properties of 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine?
3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine is sourced from PubChem (CID 167254115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).