4-(trifluoromethyl)oxolan-3-amine;hydrochloride

C5H9ClF3NO — CID 163321398

IUPAC4-(trifluoromethyl)oxolan-3-amine;hydrochloride
SMILESCl.NC1COCC1C(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-10-2-4(3)9;/h3-4H,1-2,9H2;1H
InChIKeyUSAGQKMMZWEBHJ-UHFFFAOYSA-N
MW191.58 g/mol
LogP0.94
Rot. Bonds

About 4-(trifluoromethyl)oxolan-3-amine;hydrochloride

4-(trifluoromethyl)oxolan-3-amine;hydrochloride (PubChem CID 163321398) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 4-(trifluoromethyl)oxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)oxolan-3-amine;hydrochloride
PubChem CID163321398
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name4-(trifluoromethyl)oxolan-3-amine;hydrochloride
SMILESCl.NC1COCC1C(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-10-2-4(3)9;/h3-4H,1-2,9H2;1H
InChIKeyUSAGQKMMZWEBHJ-UHFFFAOYSA-N
XLogP0.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)oxolan-3-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)oxolan-3-amine;hydrochloride (CID 163321398) is 4-(trifluoromethyl)oxolan-3-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)oxolan-3-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)oxolan-3-amine;hydrochloride is Cl.NC1COCC1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)oxolan-3-amine;hydrochloride?
The InChIKey is USAGQKMMZWEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-10-2-4(3)9;/h3-4H,1-2,9H2;1H.
What are the key properties of 4-(trifluoromethyl)oxolan-3-amine;hydrochloride?
4-(trifluoromethyl)oxolan-3-amine;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)oxolan-3-amine;hydrochloride is sourced from PubChem (CID 163321398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).