(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine

C8H14F3NO2 — CID 130723566

IUPAC(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine
SMILESCC1(C[C@H](N)C(F)(F)F)OCCCO1
InChIInChI=1S/C8H14F3NO2/c1-7(13-3-2-4-14-7)5-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m0/s1
InChIKeyQDYJCSPZDOHOIG-LURJTMIESA-N
MW213.20 g/mol
LogP1.42
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine

(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine (PubChem CID 130723566) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine
PubChem CID130723566
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine
SMILESCC1(C[C@H](N)C(F)(F)F)OCCCO1
InChIInChI=1S/C8H14F3NO2/c1-7(13-3-2-4-14-7)5-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m0/s1
InChIKeyQDYJCSPZDOHOIG-LURJTMIESA-N
XLogP1.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-amino-3-(2-methyl-1,3-dioxan-2-yl)propanoate
CID 101192503
[2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetyl] 2-fluoroprop-2-enoate
CID 123614208
2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
CID 10989993
1-adamantyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate
CID 123328800
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
CID 86098194
2-(chloromethyl)-2-methyl-1,3-dioxepane
CID 55303029
3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
CID 71381727
diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide
CID 124742501
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
1,1,1-trifluoro-4,4-dimethylpentan-2-amine
CID 63898477
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine (CID 130723566) is (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine is CC1(C[C@H](N)C(F)(F)F)OCCCO1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine?
The InChIKey is QDYJCSPZDOHOIG-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(13-3-2-4-14-7)5-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine?
(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine has a molecular weight of 213.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine is sourced from PubChem (CID 130723566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).