1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine

C15H29F2NO2 — CID 103149889

IUPAC1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCCC1CCCO1)CCOCC(F)F
InChIInChI=1S/C15H29F2NO2/c1-2-9-18-13(8-11-19-12-15(16)17)5-3-6-14-7-4-10-20-14/h13-15,18H,2-12H2,1H3
InChIKeyMSUIQYNJUSGJCD-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.38
Rot. Bonds12

About 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine

1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine (PubChem CID 103149889) has the molecular formula C15H29F2NO2 and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
PubChem CID103149889
Molecular FormulaC15H29F2NO2
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC Name1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCCC1CCCO1)CCOCC(F)F
InChIInChI=1S/C15H29F2NO2/c1-2-9-18-13(8-11-19-12-15(16)17)5-3-6-14-7-4-10-20-14/h13-15,18H,2-12H2,1H3
InChIKeyMSUIQYNJUSGJCD-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.38
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

6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
CID 103149832
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine (CID 103149889) is 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine is CCCNC(CCCC1CCCO1)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine?
The InChIKey is MSUIQYNJUSGJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO2/c1-2-9-18-13(8-11-19-12-15(16)17)5-3-6-14-7-4-10-20-14/h13-15,18H,2-12H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine?
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine has a molecular weight of 293.40 g/mol, XLogP of 3.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 103149889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).