1-(2,2-difluoroethoxy)-6-methylheptan-3-amine

C10H21F2NO — CID 103148967

IUPAC1-(2,2-difluoroethoxy)-6-methylheptan-3-amine
SMILESCC(C)CCC(N)CCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-8(2)3-4-9(13)5-6-14-7-10(11)12/h8-10H,3-7,13H2,1-2H3
InChIKeyXMOSKDYKPBUIPU-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.42
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine

1-(2,2-difluoroethoxy)-6-methylheptan-3-amine (PubChem CID 103148967) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methylheptan-3-amine
PubChem CID103148967
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name1-(2,2-difluoroethoxy)-6-methylheptan-3-amine
SMILESCC(C)CCC(N)CCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-8(2)3-4-9(13)5-6-14-7-10(11)12/h8-10H,3-7,13H2,1-2H3
InChIKeyXMOSKDYKPBUIPU-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.42
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

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
2,2-Dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491061
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine (CID 103148967) is 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine is CC(C)CCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine?
The InChIKey is XMOSKDYKPBUIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-8(2)3-4-9(13)5-6-14-7-10(11)12/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine?
1-(2,2-difluoroethoxy)-6-methylheptan-3-amine has a molecular weight of 209.28 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-methylheptan-3-amine is sourced from PubChem (CID 103148967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).