1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine

C10H19F3N2O — CID 103530788

IUPAC1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CCC(OC)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-8(14)9(10(11,12)13)15-5-4-7(6-15)16-2/h7-9H,3-6,14H2,1-2H3
InChIKeyNSHWXRUYCSEFCV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds4

About 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine

1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine (PubChem CID 103530788) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine
PubChem CID103530788
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CCC(OC)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-8(14)9(10(11,12)13)15-5-4-7(6-15)16-2/h7-9H,3-6,14H2,1-2H3
InChIKeyNSHWXRUYCSEFCV-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
{[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl}(methyl)amine
CID 121552283
rac-(1R,2S)-2-(3-methoxypyrrolidin-1-yl)cyclopentan-1-amine
CID 137833669
4-(2,2,2-Trifluoroethoxy)pyrrolidin-3-amine
CID 15023849
1-(1,1,1-Trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride
CID 89189154
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
4-(Difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231168
(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231191
4-(1,1-Difluoroethoxy)pyrrolidin-3-amine
CID 137488560
4-(Trifluoromethoxy)pyrrolidin-3-amine
CID 137488658
2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
CID 145131539
4-(Difluoromethoxy)-1-ethylpiperidin-3-amine
CID 145329919

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine (CID 103530788) is 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine is CCC(N)C(N1CCC(OC)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine?
The InChIKey is NSHWXRUYCSEFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-8(14)9(10(11,12)13)15-5-4-7(6-15)16-2/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine?
1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine is sourced from PubChem (CID 103530788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).