cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride

C6H13ClF3N — CID 175570704

IUPACcyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride
SMILESCl.FCC(F)F.NCC1CC1
InChIInChI=1S/C4H9N.C2H3F3.ClH/c5-3-4-1-2-4;3-1-2(4)5;/h4H,1-3,5H2;2H,1H2;1H
InChIKeyBOEMRFCOBCCSQM-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.00
Rot. Bonds2

About cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride

cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride (PubChem CID 175570704) has the molecular formula C6H13ClF3N and a molecular weight of 191.62 g/mol. Its IUPAC name is cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride.

Molecular Properties

Compound Namecyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride
PubChem CID175570704
Molecular FormulaC6H13ClF3N
Molecular Weight191.62 g/mol
Exact Mass191.07
IUPAC Namecyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride
SMILESCl.FCC(F)F.NCC1CC1
InChIInChI=1S/C4H9N.C2H3F3.ClH/c5-3-4-1-2-4;3-1-2(4)5;/h4H,1-3,5H2;2H,1H2;1H
InChIKeyBOEMRFCOBCCSQM-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride?
The IUPAC name of cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride (CID 175570704) is cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride.
What is the SMILES notation for cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride?
The canonical SMILES for cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride is Cl.FCC(F)F.NCC1CC1.
What is the InChIKey of cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride?
The InChIKey is BOEMRFCOBCCSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2H3F3.ClH/c5-3-4-1-2-4;3-1-2(4)5;/h4H,1-3,5H2;2H,1H2;1H.
What are the key properties of cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride?
cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanamine;1,1,2-trifluoroethane;hydrochloride is sourced from PubChem (CID 175570704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).