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

C7H15F2NO — CID 103151201

IUPAC(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
SMILESCC[C@H](N)CCOCC(F)F
InChIInChI=1S/C7H15F2NO/c1-2-6(10)3-4-11-5-7(8)9/h6-7H,2-5,10H2,1H3/t6-/m0/s1
InChIKeyJAFZXAVCBQPFNW-LURJTMIESA-N
MW167.20 g/mol
LogP1.40
Rot. Bonds6

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

(3S)-1-(2,2-difluoroethoxy)pentan-3-amine (PubChem CID 103151201) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is (3S)-1-(2,2-difluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
PubChem CID103151201
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
SMILESCC[C@H](N)CCOCC(F)F
InChIInChI=1S/C7H15F2NO/c1-2-6(10)3-4-11-5-7(8)9/h6-7H,2-5,10H2,1H3/t6-/m0/s1
InChIKeyJAFZXAVCBQPFNW-LURJTMIESA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.40
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)hexan-3-amine
CID 103151205
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
1-(3-methylbutoxy)pentan-3-amine
CID 62599909
1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-amine
CID 103149027
7-(2-aminobutoxy)heptan-3-amine
CID 174656192
6-(2-methylpropoxy)hexan-3-amine
CID 106454406
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-difluoroethoxy)pentan-3-amine?
The IUPAC name of (3S)-1-(2,2-difluoroethoxy)pentan-3-amine (CID 103151201) is (3S)-1-(2,2-difluoroethoxy)pentan-3-amine.
What is the SMILES notation for (3S)-1-(2,2-difluoroethoxy)pentan-3-amine?
The canonical SMILES for (3S)-1-(2,2-difluoroethoxy)pentan-3-amine is CC[C@H](N)CCOCC(F)F.
What is the InChIKey of (3S)-1-(2,2-difluoroethoxy)pentan-3-amine?
The InChIKey is JAFZXAVCBQPFNW-LURJTMIESA-N. The full InChI is InChI=1S/C7H15F2NO/c1-2-6(10)3-4-11-5-7(8)9/h6-7H,2-5,10H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-1-(2,2-difluoroethoxy)pentan-3-amine?
(3S)-1-(2,2-difluoroethoxy)pentan-3-amine has a molecular weight of 167.20 g/mol, XLogP of 1.40, 6 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)pentan-3-amine is sourced from PubChem (CID 103151201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).