1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine

C12H21F2NO — CID 103149853

IUPAC1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine
SMILESCC#CCC(CCOCC(F)F)NCCC
InChIInChI=1S/C12H21F2NO/c1-3-5-6-11(15-8-4-2)7-9-16-10-12(13)14/h11-12,15H,4,6-10H2,1-2H3
InChIKeyZFHFUWFIJVNSCB-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.44
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine

1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine (PubChem CID 103149853) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine
PubChem CID103149853
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine
SMILESCC#CCC(CCOCC(F)F)NCCC
InChIInChI=1S/C12H21F2NO/c1-3-5-6-11(15-8-4-2)7-9-16-10-12(13)14/h11-12,15H,4,6-10H2,1-2H3
InChIKeyZFHFUWFIJVNSCB-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine
CID 103149544
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
CID 103149832
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
CID 103475962
1,1,1-trifluoro-N-propyloct-6-yn-4-amine
CID 79964063
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
1-(4-bromothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149952
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
N-methyl-1-propoxyhex-4-yn-2-amine
CID 62309595
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149944
1-(2-methylpropylsulfanyl)-N-propylhex-4-yn-2-amine
CID 65136852

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine (CID 103149853) is 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine is CC#CCC(CCOCC(F)F)NCCC.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine?
The InChIKey is ZFHFUWFIJVNSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-3-5-6-11(15-8-4-2)7-9-16-10-12(13)14/h11-12,15H,4,6-10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine?
1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine has a molecular weight of 233.30 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine is sourced from PubChem (CID 103149853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).