N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine

C10H19F2NO — CID 80604878

IUPACN-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCCOC1
InChIInChI=1S/C10H19F2NO/c1-2-5-13-9(10(11)12)8-4-3-6-14-7-8/h8-10,13H,2-7H2,1H3
InChIKeyPQJZAWWRODRUFY-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.05
Rot. Bonds5

About N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine

N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine (PubChem CID 80604878) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
PubChem CID80604878
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCCOC1
InChIInChI=1S/C10H19F2NO/c1-2-5-13-9(10(11)12)8-4-3-6-14-7-8/h8-10,13H,2-7H2,1H3
InChIKeyPQJZAWWRODRUFY-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
CID 107136389
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine
CID 107136596
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107136426

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine (CID 80604878) is N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine is CCCNC(C(F)F)C1CCCOC1.
What is the InChIKey of N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine?
The InChIKey is PQJZAWWRODRUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-5-13-9(10(11)12)8-4-3-6-14-7-8/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine?
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80604878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).