(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride

C6H10ClF4N — CID 162342228

IUPAC(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.F[C@@H]1CCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C6H9F4N.ClH/c7-4-2-1-3-11-5(4)6(8,9)10;/h4-5,11H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyVOSFCLRNALGDEU-JBUOLDKXSA-N
MW207.60 g/mol
LogP2.06
Rot. Bonds

About (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride

(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride (PubChem CID 162342228) has the molecular formula C6H10ClF4N and a molecular weight of 207.60 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride
PubChem CID162342228
Molecular FormulaC6H10ClF4N
Molecular Weight207.60 g/mol
Exact Mass207.04
IUPAC Name(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.F[C@@H]1CCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C6H9F4N.ClH/c7-4-2-1-3-11-5(4)6(8,9)10;/h4-5,11H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyVOSFCLRNALGDEU-JBUOLDKXSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.60
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-(trifluoromethyl)piperidine
CID 141294308
(2R)-2-fluoropyrrolidine;hydrochloride
CID 67095482
tert-butyl 2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetate
CID 125457210
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
3-methyl-2-(trifluoromethyl)pyrrolidine
CID 82595109
2-cyclopentyl-3-fluoropiperidine
CID 84717416
ethyl 2-(trifluoromethyl)piperidine-3-carboxylate
CID 167740176
ethyl (2R,3S)-2-(trifluoromethyl)piperidine-3-carboxylate
CID 178202342
(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
CID 166825155
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782
(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
CID 138991310
2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride (CID 162342228) is (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride is Cl.F[C@@H]1CCCN[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is VOSFCLRNALGDEU-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H9F4N.ClH/c7-4-2-1-3-11-5(4)6(8,9)10;/h4-5,11H,1-3H2;1H/t4-,5+;/m1./s1.
What are the key properties of (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride?
(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 207.60 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 162342228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).