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

C5H9ClF3N — CID 56595197

IUPAC(1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](C1CC1)C(F)(F)F
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)3-1-2-3;/h3-4H,1-2,9H2;1H/t4-;/m0./s1
InChIKeySYGCZMSQFRLXRX-WCCKRBBISA-N
MW175.58 g/mol
LogP1.71
Rot. Bonds1

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

(1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 56595197) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID56595197
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name(1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](C1CC1)C(F)(F)F
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)3-1-2-3;/h3-4H,1-2,9H2;1H/t4-;/m0./s1
InChIKeySYGCZMSQFRLXRX-WCCKRBBISA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopropyl-2,2,2-trifluoroethanamine hydrochloride
CID 56595195
3-Cyclopropyl-1,1,1-trifluoropropan-2-amine hydrochloride
CID 69425165
rac-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine hydrochloride
CID 71656092
(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine hydrochloride
CID 72214582
(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
1-(1-(Trifluoromethyl)cyclopropyl)ethan-1-amine hydrochloride
CID 91926637
3-(Difluoromethyl)cyclobutan-1-amine hydrochloride
CID 112756550
1-Cyclopropyl-2,2-difluoroethan-1-amine hydrochloride
CID 112756636
2-Cyclopropyl-2,2-difluoroethan-1-amine hydrochloride
CID 119030504
(1s,3s)-3-(Trifluoromethyl)cyclobutan-1-amine hydrochloride
CID 119031446

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride (CID 56595197) is (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride is Cl.N[C@@H](C1CC1)C(F)(F)F.
What is the InChIKey of (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is SYGCZMSQFRLXRX-WCCKRBBISA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)3-1-2-3;/h3-4H,1-2,9H2;1H/t4-;/m0./s1.
What are the key properties of (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride?
(1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 56595197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).