[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride

C5H9ClF3N — CID 155896271

IUPAC[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1CC1C(F)(F)F
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4-1-3(4)2-9;/h3-4H,1-2,9H2;1H
InChIKeyXUMSKUUSLHIDHC-UHFFFAOYSA-N
MW175.58 g/mol
LogP1.57
Rot. Bonds1

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

[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 155896271) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
PubChem CID155896271
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1CC1C(F)(F)F
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4-1-3(4)2-9;/h3-4H,1-2,9H2;1H
InChIKeyXUMSKUUSLHIDHC-UHFFFAOYSA-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

[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
CID 170912591
cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane
CID 13379977
1-(iodomethyl)-2-(trifluoromethyl)cyclopropane
CID 162613655
trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
CID 28901541
[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
CID 146026791
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine
CID 166645673
4-(trifluoromethyl)oxolan-3-amine;hydrochloride
CID 163321398
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757
[(1R,2R)-2-bromocyclopropyl]methanamine
CID 178200198
[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride (CID 155896271) is [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride is Cl.NCC1CC1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is XUMSKUUSLHIDHC-UHFFFAOYSA-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.
What are the key properties of [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
[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 [2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 155896271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).