ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine

C11H22F3N — CID 178173299

IUPACethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
SMILESCC.CC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N.C2H6/c1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyGAAAODYWIYCMIW-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.70
Rot. Bonds1

About ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine

ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine (PubChem CID 178173299) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Nameethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
PubChem CID178173299
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Nameethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
SMILESCC.CC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N.C2H6/c1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyGAAAODYWIYCMIW-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 60646401
3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine
CID 146388853
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclohexanamine
CID 62556762
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 103226820
2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine
CID 113398961
4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol
CID 82965632
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56811023

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine?
The IUPAC name of ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine (CID 178173299) is ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine?
The canonical SMILES for ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine is CC.CC(C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine?
The InChIKey is GAAAODYWIYCMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N.C2H6/c1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine?
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine has a molecular weight of 225.30 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 178173299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).