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

C5H9ClF3NO — CID 163321402

IUPAC(3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride
SMILESCl.N[C@]1(C(F)(F)F)CCOC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(9)1-2-10-3-4;/h1-3,9H2;1H/t4-;/m1./s1
InChIKeyFPGXJFRUOBTEGT-PGMHMLKASA-N
MW191.58 g/mol
LogP1.09
Rot. Bonds

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

(3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride (PubChem CID 163321402) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride
PubChem CID163321402
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name(3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride
SMILESCl.N[C@]1(C(F)(F)F)CCOC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(9)1-2-10-3-4;/h1-3,9H2;1H/t4-;/m1./s1
InChIKeyFPGXJFRUOBTEGT-PGMHMLKASA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminooxan-4-yl)propan-2-ol
CID 83682189
sulfane;1-(trifluoromethyl)cyclopropan-1-amine
CID 159034051
3,3-dimethyl-1-(trifluoromethyl)cyclopentan-1-amine
CID 80699598
3-(aminomethyl)oxolan-3-amine;dihydrochloride
CID 118166236
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
CID 63333278
3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
CID 116627768
3-aminooxolane-3-carbonitrile;hydrochloride
CID 54595595
[4-(trifluoromethyl)oxan-4-yl]methanamine
CID 82601558
N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine
CID 126981807
3-(2,2,2-trifluoroethyl)oxan-3-amine
CID 105440417
1-(3-aminooxolan-3-yl)-2,2-dimethylpropan-1-one
CID 116579625
[4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane
CID 59735078

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride?
The IUPAC name of (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride (CID 163321402) is (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride.
What is the SMILES notation for (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride?
The canonical SMILES for (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride is Cl.N[C@]1(C(F)(F)F)CCOC1.
What is the InChIKey of (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride?
The InChIKey is FPGXJFRUOBTEGT-PGMHMLKASA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(9)1-2-10-3-4;/h1-3,9H2;1H/t4-;/m1./s1.
What are the key properties of (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride?
(3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride is sourced from PubChem (CID 163321402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).