N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride

C6H11ClF3NO — CID 71755996

IUPACN-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride
SMILESCl.FC(F)(F)CNC1CCOC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-10-5-1-2-11-3-5;/h5,10H,1-4H2;1H
InChIKeyGEHIXUNRQKVMFE-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.35
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride

N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride (PubChem CID 71755996) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride
PubChem CID71755996
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC NameN-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride
SMILESCl.FC(F)(F)CNC1CCOC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-10-5-1-2-11-3-5;/h5,10H,1-4H2;1H
InChIKeyGEHIXUNRQKVMFE-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 207923
N-methyltetrahydrofuran-3-amine hydrochloride
CID 53404832
(3R)-N-methyloxolan-3-amine hydrochloride
CID 55264568
N-ethyloxolan-3-amine
CID 59535381
5-(Trifluoromethyl)-1,4-oxazepane hydrochloride
CID 138991207
(3R)-3-(2,2-difluoroethoxy)pyrrolidine hydrochloride
CID 167737539
N-ethyloxolan-3-amine hydrochloride
CID 76220685
3-(2,2-Difluoroethyl)morpholine hydrochloride
CID 137935617
4,4-Difluorooxolan-3-amine hydrochloride
CID 146082364
N-(2,2,2-Trifluoroethyl)tetrahydrofuran-3-amine
CID 63331552
3-(2,2,2-Trifluoroethoxy)pyrrolidine hydrochloride
CID 66802911
(S)-3-(2,2,2-Trifluoroethoxy)pyrrolidine hydrochloride
CID 89971941

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride (CID 71755996) is N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride is Cl.FC(F)(F)CNC1CCOC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride?
The InChIKey is GEHIXUNRQKVMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-10-5-1-2-11-3-5;/h5,10H,1-4H2;1H.
What are the key properties of N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride?
N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)oxolan-3-amine;hydrochloride is sourced from PubChem (CID 71755996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).