[(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride

C4H8ClF2N — CID 170907977

IUPAC[(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CC1(F)F
InChIInChI=1S/C4H7F2N.ClH/c5-4(6)1-3(4)2-7;/h3H,1-2,7H2;1H/t3-;/m0./s1
InChIKeyGARPJFLMDNRCJS-DFWYDOINSA-N
MW143.56 g/mol
LogP1.02
Rot. Bonds1

About [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride

[(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride (PubChem CID 170907977) has the molecular formula C4H8ClF2N and a molecular weight of 143.56 g/mol. Its IUPAC name is [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride
PubChem CID170907977
Molecular FormulaC4H8ClF2N
Molecular Weight143.56 g/mol
Exact Mass143.03
IUPAC Name[(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CC1(F)F
InChIInChI=1S/C4H7F2N.ClH/c5-4(6)1-3(4)2-7;/h3H,1-2,7H2;1H/t3-;/m0./s1
InChIKeyGARPJFLMDNRCJS-DFWYDOINSA-N
XLogP1.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.56
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride (CID 170907977) is [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride is Cl.NC[C@@H]1CC1(F)F.
What is the InChIKey of [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride?
The InChIKey is GARPJFLMDNRCJS-DFWYDOINSA-N. The full InChI is InChI=1S/C4H7F2N.ClH/c5-4(6)1-3(4)2-7;/h3H,1-2,7H2;1H/t3-;/m0./s1.
What are the key properties of [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride?
[(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride has a molecular weight of 143.56 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-difluorocyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 170907977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).