(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C8H12F3N — CID 101494997

IUPAC(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESFC(F)(F)[C@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-3-5-12-4-1-2-7(6)12/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyCDTSFKHMMZIDEG-BQBZGAKWSA-N
MW179.18 g/mol
LogP2.03
Rot. Bonds

About (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 101494997) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID101494997
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESFC(F)(F)[C@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-3-5-12-4-1-2-7(6)12/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyCDTSFKHMMZIDEG-BQBZGAKWSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 115716868
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853733
3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496308
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline
CID 56997162
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455
1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine
CID 173460583
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848

Frequently Asked Questions

What is the IUPAC name of (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 101494997) is (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is FC(F)(F)[C@H]1CCN2CCC[C@@H]12.
What is the InChIKey of (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is CDTSFKHMMZIDEG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)6-3-5-12-4-1-2-7(6)12/h6-7H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 179.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 101494997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).