N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine

C10H21F2NO — CID 103517296

IUPACN-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(F)F
InChIInChI=1S/C10H21F2NO/c1-5-13-8(9(11)12)6-7-10(2,3)14-4/h8-9,13H,5-7H2,1-4H3
InChIKeyIBZOSMLCPXSQFY-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.43
Rot. Bonds7

About N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine

N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine (PubChem CID 103517296) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine
PubChem CID103517296
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC NameN-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(F)F
InChIInChI=1S/C10H21F2NO/c1-5-13-8(9(11)12)6-7-10(2,3)14-4/h8-9,13H,5-7H2,1-4H3
InChIKeyIBZOSMLCPXSQFY-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine (CID 103517296) is N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
The InChIKey is IBZOSMLCPXSQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-5-13-8(9(11)12)6-7-10(2,3)14-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine has a molecular weight of 209.28 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103517296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).