(3S)-1-(2,2-difluoroethoxy)hexan-3-amine

C8H17F2NO — CID 103151205

IUPAC(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
SMILESCCC[C@H](N)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-2-3-7(11)4-5-12-6-8(9)10/h7-8H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyOFJIOCWFVDITAQ-ZETCQYMHSA-N
MW181.23 g/mol
LogP1.79
Rot. Bonds7

About (3S)-1-(2,2-difluoroethoxy)hexan-3-amine

(3S)-1-(2,2-difluoroethoxy)hexan-3-amine (PubChem CID 103151205) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is (3S)-1-(2,2-difluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
PubChem CID103151205
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
SMILESCCC[C@H](N)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-2-3-7(11)4-5-12-6-8(9)10/h7-8H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyOFJIOCWFVDITAQ-ZETCQYMHSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.79
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

(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
CID 103151201
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-amine
CID 103149027
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
azane;heptan-4-amine
CID 118430725
1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
1-(3-aminoundecoxy)undecan-3-amine
CID 141300494
1-heptoxypentan-2-amine
CID 62044754
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
1-ethoxypentan-2-amine
CID 62042543
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-difluoroethoxy)hexan-3-amine?
The IUPAC name of (3S)-1-(2,2-difluoroethoxy)hexan-3-amine (CID 103151205) is (3S)-1-(2,2-difluoroethoxy)hexan-3-amine.
What is the SMILES notation for (3S)-1-(2,2-difluoroethoxy)hexan-3-amine?
The canonical SMILES for (3S)-1-(2,2-difluoroethoxy)hexan-3-amine is CCC[C@H](N)CCOCC(F)F.
What is the InChIKey of (3S)-1-(2,2-difluoroethoxy)hexan-3-amine?
The InChIKey is OFJIOCWFVDITAQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-2-3-7(11)4-5-12-6-8(9)10/h7-8H,2-6,11H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-(2,2-difluoroethoxy)hexan-3-amine?
(3S)-1-(2,2-difluoroethoxy)hexan-3-amine has a molecular weight of 181.23 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-difluoroethoxy)hexan-3-amine is sourced from PubChem (CID 103151205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).