1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine

C11H21F2NO2 — CID 102868081

IUPAC1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
SMILESCC(NCCCOCC1CCCO1)C(F)F
InChIInChI=1S/C11H21F2NO2/c1-9(11(12)13)14-5-3-6-15-8-10-4-2-7-16-10/h9-11,14H,2-8H2,1H3
InChIKeyXVGNHFHQFOEZIT-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.82
Rot. Bonds8

About 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine

1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine (PubChem CID 102868081) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
PubChem CID102868081
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
SMILESCC(NCCCOCC1CCCO1)C(F)F
InChIInChI=1S/C11H21F2NO2/c1-9(11(12)13)14-5-3-6-15-8-10-4-2-7-16-10/h9-11,14H,2-8H2,1H3
InChIKeyXVGNHFHQFOEZIT-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
N-[1-(3,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 81296850
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 106756981
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205741
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine (CID 102868081) is 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine is CC(NCCCOCC1CCCO1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine?
The InChIKey is XVGNHFHQFOEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-9(11(12)13)14-5-3-6-15-8-10-4-2-7-16-10/h9-11,14H,2-8H2,1H3.
What are the key properties of 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine?
1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine has a molecular weight of 237.29 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine is sourced from PubChem (CID 102868081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).