3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride

C5H12ClF2NO — CID 71756154

IUPAC3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOCC(F)F
InChIInChI=1S/C5H11F2NO.ClH/c6-5(7)4-9-3-1-2-8;/h5H,1-4,8H2;1H
InChIKeyXXJFQLLJTLLJDH-UHFFFAOYSA-N
MW175.61 g/mol
LogP1.04
Rot. Bonds5

About 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride

3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride (PubChem CID 71756154) has the molecular formula C5H12ClF2NO and a molecular weight of 175.61 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
PubChem CID71756154
Molecular FormulaC5H12ClF2NO
Molecular Weight175.61 g/mol
Exact Mass175.06
IUPAC Name3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOCC(F)F
InChIInChI=1S/C5H11F2NO.ClH/c6-5(7)4-9-3-1-2-8;/h5H,1-4,8H2;1H
InChIKeyXXJFQLLJTLLJDH-UHFFFAOYSA-N
XLogP1.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 51.04
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

6-(2,2-difluoroethoxy)hexan-1-amine
CID 82006295
N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
CID 103208149
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
4-(2,2-difluoroethoxy)butane-1-thiol
CID 82010283
2,2-difluoroethoxymethanamine
CID 162615781
1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
CID 82009085
(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine
CID 103208190
1-[3-(3-aminopropoxy)propoxy]propan-2-amine
CID 138696383
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-[2-[2-[2-(3-aminopropoxy)ethoxy]-3-[2,3-bis[2-(3-aminopropoxy)ethoxy]propoxy]propoxy]ethoxy]propan-1-amine
CID 59459957

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride?
The IUPAC name of 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride (CID 71756154) is 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride is Cl.NCCCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride?
The InChIKey is XXJFQLLJTLLJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO.ClH/c6-5(7)4-9-3-1-2-8;/h5H,1-4,8H2;1H.
What are the key properties of 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride?
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride has a molecular weight of 175.61 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 71756154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).