N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine

C9H18FNO — CID 103581461

IUPACN-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCCCF
InChIInChI=1S/C9H18FNO/c1-8-9(2,4-7-12-8)11-6-3-5-10/h8,11H,3-7H2,1-2H3
InChIKeyODCUNXKXNAFTGC-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine

N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine (PubChem CID 103581461) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine
PubChem CID103581461
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCCCF
InChIInChI=1S/C9H18FNO/c1-8-9(2,4-7-12-8)11-6-3-5-10/h8,11H,3-7H2,1-2H3
InChIKeyODCUNXKXNAFTGC-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 168942620
3-(difluoromethyl)-2-methyl-N-propyloxolan-3-amine
CID 82717350
N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine
CID 82717874
N-ethyl-2-methyl-3-(trifluoromethyl)oxolan-3-amine
CID 82718035
2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine
CID 82718036
3-(difluoromethyl)-N,2-dimethyloxolan-3-amine
CID 82718199
3-(difluoromethyl)-N-ethyl-2-methyloxolan-3-amine
CID 82718200
3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxolan-3-amine
CID 82718625
2-Methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile
CID 82719065
3-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
CID 82719533
N-(3-fluoropropyl)-2-methyloxolan-3-amine
CID 82724932
N-(2-fluoroethyl)-2-methyloxolan-3-amine
CID 82725574

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine (CID 103581461) is N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is ODCUNXKXNAFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8-9(2,4-7-12-8)11-6-3-5-10/h8,11H,3-7H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine?
N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).