trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride

C5H10ClF2N — CID 138987804

IUPACtrans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride
SMILESCC(F)(F)[C@@H]1C[C@H]1N.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-5(6,7)3-2-4(3)8;/h3-4H,2,8H2,1H3;1H/t3-,4-;/m1./s1
InChIKeyJGCCTNIBGKYJGL-VKKIDBQXSA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds1

About trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride

trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 138987804) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride
PubChem CID138987804
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Nametrans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride
SMILESCC(F)(F)[C@@H]1C[C@H]1N.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-5(6,7)3-2-4(3)8;/h3-4H,2,8H2,1H3;1H/t3-,4-;/m1./s1
InChIKeyJGCCTNIBGKYJGL-VKKIDBQXSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopropyl-2,2,2-trifluoroethanamine hydrochloride
CID 56595195
(1S)-1-cyclopropyl-2,2,2-trifluoroethan-1-amine hydrochloride
CID 56595197
3-Cyclopropyl-1,1,1-trifluoropropan-2-amine hydrochloride
CID 69425165
1-Cyclopropyl-2,2,2-trifluoroethan-1-amine hydrochloride
CID 76371183
1-Cyclopropyl-3,3,3-trifluoropropan-1-amine hydrochloride
CID 86812274
1-(1-(Trifluoromethyl)cyclopropyl)ethan-1-amine hydrochloride
CID 91926637
1-Cyclopropyl-2,2-difluoroethan-1-amine hydrochloride
CID 112756636
2-Cyclopropyl-2,2-difluoroethan-1-amine hydrochloride
CID 119030504
1-(2,2-Difluorocyclopropyl)ethan-1-amine hydrochloride
CID 121553432
rac-(1R,2R)-2-(difluoromethyl)cyclopropan-1-amine hydrochloride
CID 122199357
2-(Difluoromethyl)cyclopropan-1-amine hydrochloride
CID 122360158
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanamine hydrochloride
CID 131839670

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride (CID 138987804) is trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride is CC(F)(F)[C@@H]1C[C@H]1N.Cl.
What is the InChIKey of trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is JGCCTNIBGKYJGL-VKKIDBQXSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c1-5(6,7)3-2-4(3)8;/h3-4H,2,8H2,1H3;1H/t3-,4-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride?
trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 138987804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).