3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

C10H19F2NO2 — CID 103208032

IUPAC3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESFC(F)COCCCNCC1CCCO1
InChIInChI=1S/C10H19F2NO2/c11-10(12)8-14-5-2-4-13-7-9-3-1-6-15-9/h9-10,13H,1-8H2
InChIKeyVRRHCKWNWRVVNP-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.43
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 103208032) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID103208032
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESFC(F)COCCCNCC1CCCO1
InChIInChI=1S/C10H19F2NO2/c11-10(12)8-14-5-2-4-13-7-9-3-1-6-15-9/h9-10,13H,1-8H2
InChIKeyVRRHCKWNWRVVNP-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.43
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-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
3-ethenoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 78914606
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 103285818
N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82957862
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 103208032) is 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is FC(F)COCCCNCC1CCCO1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is VRRHCKWNWRVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c11-10(12)8-14-5-2-4-13-7-9-3-1-6-15-9/h9-10,13H,1-8H2.
What are the key properties of 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 223.26 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 103208032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).