4-(2,2-difluoroethyl)piperidine;hydrochloride

C7H14ClF2N — CID 70086459

IUPAC4-(2,2-difluoroethyl)piperidine;hydrochloride
SMILESCl.FC(F)CC1CCNCC1
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)5-6-1-3-10-4-2-6;/h6-7,10H,1-5H2;1H
InChIKeyPOLZEUNNPKKZDY-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.06
Rot. Bonds2

About 4-(2,2-difluoroethyl)piperidine;hydrochloride

4-(2,2-difluoroethyl)piperidine;hydrochloride (PubChem CID 70086459) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)piperidine;hydrochloride
PubChem CID70086459
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name4-(2,2-difluoroethyl)piperidine;hydrochloride
SMILESCl.FC(F)CC1CCNCC1
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)5-6-1-3-10-4-2-6;/h6-7,10H,1-5H2;1H
InChIKeyPOLZEUNNPKKZDY-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)piperidine
CID 136469
4,4-Difluoropiperidine
CID 2758352
3-(Trifluoromethyl)piperidine
CID 2760776
3,3-Difluoropiperidine
CID 2758350
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
4,4-Difluoropiperidine hydrochloride
CID 2758351
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
rac-(3R,5S)-3,5-difluoropiperidine hydrochloride
CID 135800020
3,3-Difluoropiperidine hydrochloride
CID 2758349
3,5-Difluoropiperidine hydrochloride
CID 135800019
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanamine
CID 18425514

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2,2-difluoroethyl)piperidine;hydrochloride (CID 70086459) is 4-(2,2-difluoroethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,2-difluoroethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2,2-difluoroethyl)piperidine;hydrochloride is Cl.FC(F)CC1CCNCC1.
What is the InChIKey of 4-(2,2-difluoroethyl)piperidine;hydrochloride?
The InChIKey is POLZEUNNPKKZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c8-7(9)5-6-1-3-10-4-2-6;/h6-7,10H,1-5H2;1H.
What are the key properties of 4-(2,2-difluoroethyl)piperidine;hydrochloride?
4-(2,2-difluoroethyl)piperidine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)piperidine;hydrochloride is sourced from PubChem (CID 70086459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).