(1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride

C5H10ClF2N — CID 135355027

IUPAC(1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@H](C(F)F)C1CC1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)4(8)3-1-2-3;/h3-5H,1-2,8H2;1H/t4-;/m0./s1
InChIKeyQBVLWPRDOQTIIQ-WCCKRBBISA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds2

About (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride

(1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride (PubChem CID 135355027) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride
PubChem CID135355027
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name(1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@H](C(F)F)C1CC1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)4(8)3-1-2-3;/h3-5H,1-2,8H2;1H/t4-;/m0./s1
InChIKeyQBVLWPRDOQTIIQ-WCCKRBBISA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride (CID 135355027) is (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride is Cl.N[C@H](C(F)F)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride?
The InChIKey is QBVLWPRDOQTIIQ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-5(7)4(8)3-1-2-3;/h3-5H,1-2,8H2;1H/t4-;/m0./s1.
What are the key properties of (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride?
(1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 135355027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).