1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine

C9H15F6NO — CID 143759756

IUPAC1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine
SMILESC1CCNCC1.COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H11N.C4H4F6O/c1-2-4-6-5-3-1;1-11-2(3(5,6)7)4(8,9)10/h6H,1-5H2;2H,1H3
InChIKeyZFCSDONFIIUNEY-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.89
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine

1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine (PubChem CID 143759756) has the molecular formula C9H15F6NO and a molecular weight of 267.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine
PubChem CID143759756
Molecular FormulaC9H15F6NO
Molecular Weight267.21 g/mol
Exact Mass267.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine
SMILESC1CCNCC1.COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H11N.C4H4F6O/c1-2-4-6-5-3-1;1-11-2(3(5,6)7)4(8,9)10/h6H,1-5H2;2H,1H3
InChIKeyZFCSDONFIIUNEY-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Difluoromethoxy)piperidine
CID 57791849
4-(3,3,3-Trifluoropropoxy)piperidine
CID 64567759
4-(2,2,2-Trifluoroethoxy)piperidine
CID 24689679
4-(2,2-Difluoroethoxy)piperidine
CID 60921781
4-(2,2-Difluoropropoxy)piperidine
CID 66696136
4-(TRIFLUOROMETHOXY)PIPERIDINE HCl
CID 86811703
rac-(3R,4S)-3-fluoro-4-methoxypiperidine hydrochloride
CID 90176861
(3R,4S)-3-Fluoro-4-methoxypiperidine hydrochloride
CID 139349877
(3S,4R)-3-Fluoro-4-methoxypiperidine
CID 89025996
4-(1,3-Difluoropropan-2-yloxy)piperidine
CID 57791826
4,4-Difluoro-3-methoxypiperidine
CID 58110386
4-(2,2,2-Trifluoro-1-methoxyethyl)piperidine
CID 58450384

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine (CID 143759756) is 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine is C1CCNCC1.COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine?
The InChIKey is ZFCSDONFIIUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H4F6O/c1-2-4-6-5-3-1;1-11-2(3(5,6)7)4(8,9)10/h6H,1-5H2;2H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine?
1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine has a molecular weight of 267.21 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methoxypropane;piperidine is sourced from PubChem (CID 143759756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).