[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride

C5H9ClF3N — CID 131839670

IUPAC[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4-1-3(4)2-9;/h3-4H,1-2,9H2;1H/t3-,4+;/m0./s1
InChIKeyXUMSKUUSLHIDHC-RFKZQXLXSA-N
MW175.58 g/mol
LogP1.57
Rot. Bonds1

About [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride

[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 131839670) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
PubChem CID131839670
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4-1-3(4)2-9;/h3-4H,1-2,9H2;1H/t3-,4+;/m0./s1
InChIKeyXUMSKUUSLHIDHC-RFKZQXLXSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Cyclopropylethanamine hydrochloride
CID 21916080
(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
(2,2-Difluorocyclopropyl)methanamine hydrochloride
CID 75480932
1-Cyclopropyl-2,2,2-trifluoroethan-1-amine hydrochloride
CID 76371183
1-Cyclopropyl-3,3,3-trifluoropropan-1-amine hydrochloride
CID 86812274
2-(1-(Trifluoromethyl)cyclopropyl)ethan-1-amine hydrochloride
CID 89813732
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
3-Cyclopropyl-2,2-difluoropropan-1-amine hydrochloride
CID 122163160

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride (CID 131839670) is [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride is Cl.NC[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is XUMSKUUSLHIDHC-RFKZQXLXSA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c6-5(7,8)4-1-3(4)2-9;/h3-4H,1-2,9H2;1H/t3-,4+;/m0./s1.
What are the key properties of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 131839670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).