2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride

C5H10ClF2NO — CID 155858474

IUPAC2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride
SMILESCl.NCCOC1CC1(F)F
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-4(5)9-2-1-8;/h4H,1-3,8H2;1H
InChIKeyQHIUDMDLPZJUHB-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.79
Rot. Bonds3

About 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride

2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride (PubChem CID 155858474) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride
PubChem CID155858474
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride
SMILESCl.NCCOC1CC1(F)F
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-4(5)9-2-1-8;/h4H,1-3,8H2;1H
InChIKeyQHIUDMDLPZJUHB-UHFFFAOYSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-Trifluoro-2-methoxypropan-1-amine hydrochloride
CID 54593160
2-Cyclopropoxyethan-1-amine hydrochloride
CID 67528034
2-(2,2-Difluoroethoxy)ethan-1-amine hydrochloride
CID 75525737
2-(Difluoromethoxy)propan-1-amine
CID 84716057
2-(2,2-Difluorocyclopropoxy)ethan-1-amine
CID 121207600
2-(2,2,2-Trifluoroethoxy)ethanamine hydrochloride
CID 17385258
2-(Cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine
CID 43752944
3,3-Difluoro-2-methoxypropan-1-aminehydrochloride
CID 165750490
3-Ethoxy-4,4,4-trifluorobutan-2-amine--hydrogen chloride (1/1)
CID 54603483
3,3,3-Trifluoro-2-methoxypropan-1-amine
CID 43752849
2-Ethoxy-3,3,3-trifluoropropan-1-amine
CID 43752850
(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine
CID 51886548

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride?
The IUPAC name of 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride (CID 155858474) is 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride is Cl.NCCOC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride?
The InChIKey is QHIUDMDLPZJUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)3-4(5)9-2-1-8;/h4H,1-3,8H2;1H.
What are the key properties of 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride?
2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)oxyethanamine;hydrochloride is sourced from PubChem (CID 155858474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).