(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine

C8H18F2N2O — CID 103208190

IUPAC(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine
SMILESC[C@@H](CN)NCCCOCC(F)F
InChIInChI=1S/C8H18F2N2O/c1-7(5-11)12-3-2-4-13-6-8(9)10/h7-8,12H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyXRFVJRCFFHCEER-ZETCQYMHSA-N
MW196.24 g/mol
LogP0.60
Rot. Bonds8

About (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine

(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine (PubChem CID 103208190) has the molecular formula C8H18F2N2O and a molecular weight of 196.24 g/mol. Its IUPAC name is (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine
PubChem CID103208190
Molecular FormulaC8H18F2N2O
Molecular Weight196.24 g/mol
Exact Mass196.14
IUPAC Name(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine
SMILESC[C@@H](CN)NCCCOCC(F)F
InChIInChI=1S/C8H18F2N2O/c1-7(5-11)12-3-2-4-13-6-8(9)10/h7-8,12H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyXRFVJRCFFHCEER-ZETCQYMHSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
CID 103208149
N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
CID 82009436
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
CID 103082762
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
3-(1-aminopropan-2-ylamino)propane-1-thiol
CID 54076736
6-(2,2-difluoroethoxy)hexan-1-amine
CID 82006295
2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
CID 103389691
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106091842
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
N-(3-ethoxypropyl)butan-2-amine
CID 43196213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine (CID 103208190) is (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine is C[C@@H](CN)NCCCOCC(F)F.
What is the InChIKey of (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine?
The InChIKey is XRFVJRCFFHCEER-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18F2N2O/c1-7(5-11)12-3-2-4-13-6-8(9)10/h7-8,12H,2-6,11H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine?
(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine has a molecular weight of 196.24 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine is sourced from PubChem (CID 103208190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).