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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Related Compounds

[(4,4-Difluorooxolan-2-yl)methyl](methyl)amine
CID 177808931
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
5-(2-aminoethoxy)-3,3-difluoro-N-methylpentan-1-amine
CID 124200898
3,3-difluoro-5-methoxy-N-methylpentan-1-amine
CID 126619715
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
3,3-difluoro-N-(1-iodoethyl)-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 138656871
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 146549602
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 146607019
4-fluoro-N-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 156303799

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).